cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2n0w4q
title: CCDC 2443703: Experimental Crystal Structure Determination

description: Related Article: Rebecca M. Blake, Stephanie A. Bird, James R. Brookes, Isabelle M. Jones, Helen E. Maynard-Casely, Alan Riboldi-Tunnicliffe, Nicholas D. Stapleton, Gemma F. Turner, Rachel M. Williamson, Rosemary J. Young, Dino Spagnoli, Stephen A. Moggach|2025|Cryst.Growth Des.|25|6620|doi:10.1021/acs.cgd.5c00539
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0w5r
title: CCDC 2443704: Experimental Crystal Structure Determination

description: Related Article: Rebecca M. Blake, Stephanie A. Bird, James R. Brookes, Isabelle M. Jones, Helen E. Maynard-Casely, Alan Riboldi-Tunnicliffe, Nicholas D. Stapleton, Gemma F. Turner, Rachel M. Williamson, Rosemary J. Young, Dino Spagnoli, Stephen A. Moggach|2025|Cryst.Growth Des.|25|6620|doi:10.1021/acs.cgd.5c00539
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0w7t
title: CCDC 2443706: Experimental Crystal Structure Determination

description: Related Article: Zonglin Ma, Qian Wang, Xihang Lu, Qiuyu Li, Aijun Lin, Hequan Yao|2025|Org.Lett.|27|8077|doi:10.1021/acs.orglett.5c02433
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.15468/dl.v7jezf
title: Occurrence Download

description: A dataset containing 310 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((109.59844 20.19911,111.01318 20.21032,111.01613 22.04738,109.59452 22.03813,109.59917 21.0823,109.59844 20.19911))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is one of (Tringa stagnatilis, Tringa totanus, Tringa nebularia, Tringa ochropus, Actitis hypoleucos, Calidris alpina, Calidris tenuirostris, Charadrius dubius, Charadrius leschenaultii, Charadrius alexandrinus, Pluvialis squatarola)",
 "Year 2021-2025"
 ]
}

 The dataset includes 310 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000744-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc2l2qfv
title: CCDC 2385897: Experimental Crystal Structure Determination

description: Related Article: xue wang|2025|CSD Communication|||
description: Related Article: Xue Wang, Huiying Sun, Xiao Li, Jing Sun, Zhong-min Su|2025|Inorg.Chem.|64|9912|doi:10.1021/acs.inorgchem.5c01674
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0yzm
title: CCDC 2443791: Experimental Crystal Structure Determination

description: Related Article: Simon Roggors, Nico Striegler, Thomas Unden, Oleksiy Khavryuchenko, Alon Salhov, Jochen Scharpf, Martin B. Plenio, Alex Retzker, Fedor Jelezko, Matthias Pfender, Philipp Neumann, Tim R. Eichhorn, Tobias A. Schaub, Ilai Schwartz|2025|J.Am.Chem.Soc.|147|36383|doi:10.1021/jacs.5c10272
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0x1n
title: CCDC 2443731: Experimental Crystal Structure Determination

description: Related Article: Stefan Sutorius, David Patrun, Arthur Edelmann, Lars Schumacher, Rainer Pöttgen, Markus Suta, Jörn Bruns|2025|Chem.-Eur.J.|31|e202501515|doi:10.1002/chem.202501515
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0z0p
title: CCDC 2443792: Experimental Crystal Structure Determination

description: Related Article: Simon Roggors, Nico Striegler, Thomas Unden, Oleksiy Khavryuchenko, Alon Salhov, Jochen Scharpf, Martin B. Plenio, Alex Retzker, Fedor Jelezko, Matthias Pfender, Philipp Neumann, Tim R. Eichhorn, Tobias A. Schaub, Ilai Schwartz|2025|J.Am.Chem.Soc.|147|36383|doi:10.1021/jacs.5c10272
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.34740/kaggle/dsv/13505510
title: Full TMDB Movies Dataset 2024 (1M Movies)
DOI: 10.5517/ccdc.csd.cc2n0x2p
title: CCDC 2443732: Experimental Crystal Structure Determination

description: Related Article: Stefan Sutorius, David Patrun, Arthur Edelmann, Lars Schumacher, Rainer Pöttgen, Markus Suta, Jörn Bruns|2025|Chem.-Eur.J.|31|e202501515|doi:10.1002/chem.202501515
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0x6t
title: CCDC 2443736: Experimental Crystal Structure Determination

description: Related Article: Andy I. Coker,  Aidan P. McKay,  David B. Cordes,  Brian A. Chalmers|2025|Molbank|2025|M2013|doi:10.3390/M2013
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2mf1ns
title: CCDC 2425615: Experimental Crystal Structure Determination

description: Related Article: Tak Hin Wong, Paul Varava, Farzaneh Fadaei-Tirani, Rosario Scopelliti, Kay Severin|2025|J.Am.Chem.Soc.|147|19911|doi:10.1021/jacs.5c04371
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0xj4
title: CCDC 2443746: Experimental Crystal Structure Determination

description: Related Article: Mathew R. Graci, Mae Palus, Diane A. Dickie, Mark M. Turnbull|2025|J.Coord.Chem.|78|1|doi:10.1080/00958972.2025.2532481
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0xk5
title: CCDC 2443747: Experimental Crystal Structure Determination

description: Related Article: Mathew R. Graci, Mae Palus, Diane A. Dickie, Mark M. Turnbull|2025|J.Coord.Chem.|78|1|doi:10.1080/00958972.2025.2532481
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0xl6
title: CCDC 2443748: Experimental Crystal Structure Determination

description: Related Article: Mathew R. Graci, Mae Palus, Diane A. Dickie, Mark M. Turnbull|2025|J.Coord.Chem.|78|1|doi:10.1080/00958972.2025.2532481
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0xm7
title: CCDC 2443749: Experimental Crystal Structure Determination

description: Related Article: Mathew R. Graci, Mae Palus, Diane A. Dickie, Mark M. Turnbull|2025|J.Coord.Chem.|78|1|doi:10.1080/00958972.2025.2532481
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.34740/kaggle/dsv/13505326
title: BreastDataset
DOI: 10.5517/ccdc.csd.cc2n0xn8
title: CCDC 2443750: Experimental Crystal Structure Determination

description: Related Article: Mathew R. Graci, Mae Palus, Diane A. Dickie, Mark M. Turnbull|2025|J.Coord.Chem.|78|1|doi:10.1080/00958972.2025.2532481
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0xp9
title: CCDC 2443751: Experimental Crystal Structure Determination

description: Related Article: Mathew R. Graci, Mae Palus, Diane A. Dickie, Mark M. Turnbull|2025|J.Coord.Chem.|78|1|doi:10.1080/00958972.2025.2532481
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0xqb
title: CCDC 2443752: Experimental Crystal Structure Determination

description: Related Article: Mathew R. Graci, Mae Palus, Diane A. Dickie, Mark M. Turnbull|2025|J.Coord.Chem.|78|1|doi:10.1080/00958972.2025.2532481
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0xrc
title: CCDC 2443753: Experimental Crystal Structure Determination

description: Related Article: Mathew R. Graci, Mae Palus, Diane A. Dickie, Mark M. Turnbull|2025|J.Coord.Chem.|78|1|doi:10.1080/00958972.2025.2532481
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0xyk
title: CCDC 2443759: Experimental Crystal Structure Determination

description: Related Article: Ilya A. Shutkov,  Nikolai A. Melnichuk,  Sofya A. Ovakimyan,  Dmitrii M. Mazur,  Nataliya E. Borisova,  Maxim L. Kuznetsov,  Ivan A. Godovikov,  Konstantin A. Lyssenko,  Dmitrii S. Yakovlev,  Alexander A. Spasov,  Elena R. Milaeva,  Alexey A. Nazarov|2025|Int.J.Mol.Sci.|26|5214|doi:10.3390/ijms26115214
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0xzl
title: CCDC 2443760: Experimental Crystal Structure Determination

description: Related Article: Ilya A. Shutkov,  Nikolai A. Melnichuk,  Sofya A. Ovakimyan,  Dmitrii M. Mazur,  Nataliya E. Borisova,  Maxim L. Kuznetsov,  Ivan A. Godovikov,  Konstantin A. Lyssenko,  Dmitrii S. Yakovlev,  Alexander A. Spasov,  Elena R. Milaeva,  Alexey A. Nazarov|2025|Int.J.Mol.Sci.|26|5214|doi:10.3390/ijms26115214
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0y0n
title: CCDC 2443761: Experimental Crystal Structure Determination

description: Related Article: Ilya A. Shutkov,  Nikolai A. Melnichuk,  Sofya A. Ovakimyan,  Dmitrii M. Mazur,  Nataliya E. Borisova,  Maxim L. Kuznetsov,  Ivan A. Godovikov,  Konstantin A. Lyssenko,  Dmitrii S. Yakovlev,  Alexander A. Spasov,  Elena R. Milaeva,  Alexey A. Nazarov|2025|Int.J.Mol.Sci.|26|5214|doi:10.3390/ijms26115214
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0y1p
title: CCDC 2443762: Experimental Crystal Structure Determination

description: Related Article: Ilya A. Shutkov,  Nikolai A. Melnichuk,  Sofya A. Ovakimyan,  Dmitrii M. Mazur,  Nataliya E. Borisova,  Maxim L. Kuznetsov,  Ivan A. Godovikov,  Konstantin A. Lyssenko,  Dmitrii S. Yakovlev,  Alexander A. Spasov,  Elena R. Milaeva,  Alexey A. Nazarov|2025|Int.J.Mol.Sci.|26|5214|doi:10.3390/ijms26115214
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0y2q
title: CCDC 2443763: Experimental Crystal Structure Determination

description: Related Article: Ilya A. Shutkov,  Nikolai A. Melnichuk,  Sofya A. Ovakimyan,  Dmitrii M. Mazur,  Nataliya E. Borisova,  Maxim L. Kuznetsov,  Ivan A. Godovikov,  Konstantin A. Lyssenko,  Dmitrii S. Yakovlev,  Alexander A. Spasov,  Elena R. Milaeva,  Alexey A. Nazarov|2025|Int.J.Mol.Sci.|26|5214|doi:10.3390/ijms26115214
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0yj5
title: CCDC 2443777: Experimental Crystal Structure Determination

description: Related Article: Shuang-Quan Zang, Hong Chen, Kong-Sheng Qi, Xiao-Yu Dong, Ya-Ning Pei, Yu-Jie Jin, Han Zhang, Si Li, Jie Wu, Jinmeng Cai|2025|Angew.Chem.,Int.Ed.|64|e202510429|doi:10.1002/anie.202510429
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0x3q
title: CCDC 2443733: Experimental Crystal Structure Determination

description: Related Article: Stefan Sutorius, David Patrun, Arthur Edelmann, Lars Schumacher, Rainer Pöttgen, Markus Suta, Jörn Bruns|2025|Chem.-Eur.J.|31|e202501515|doi:10.1002/chem.202501515
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0ypb
title: CCDC 2443782: Experimental Crystal Structure Determination

description: Related Article: Shengjie Lin, Peiren Ke, Limin Wang, Ye Liang, Jianbo Hu, Lin Zhang, Zhenyi Zhang, Yabing He, Banglin Chen|2025|Angew.Chem.,Int.Ed.|64|e202511773|doi:10.1002/anie.202511773
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0z4t
title: CCDC 2443796: Experimental Crystal Structure Determination

description: Related Article: Wentong Tu, Linyuan Wen, Kunkai Wang, Yingzhe Liu, Zhixiang Xie|2025|J.Org.Chem.|90|7766|doi:10.1021/acs.joc.5c00633
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n0z7x
title: CCDC 2443799: Experimental Crystal Structure Determination

description: Related Article: Carson W. King, Puppala Sathish, Danielle N. Turner, Arben Zejnelovski, Vincent T. Do, Robert Rubiano, David Schilter, Todd W. Hudnall, Snezna Rogelj, Alexander Kornienko|2025|Bioorg.Med.Chem.Lett.|124|130256|doi:10.1016/j.bmcl.2025.130256
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2m5wc2
title: CSD 2418724: Experimental Crystal Structure Determination

description: Related Article: Md Abdullah Al Muhit, Alevtina A. Maksimova, Sean C. Wechsler, Habiba Binte Kashem, Gopabandhu Panigrahi, Gregory Morrison, Morgan Stefik, Hans-Conrad zur Loye|2025|Solid State Sciences|165|107951|doi:10.1016/j.solidstatesciences.2025.107951
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ll8j0
title: CCDC 2400842: Experimental Crystal Structure Determination

description: Related Article: Aleksandra Krupińska, Bogumia Burzyńska, Vasyl Kinzhybalo, Bażej Dziuk, Przemysaw Szklarz, Dariusz Kajewski, Jan K. Zaręba, Ada Drwęcka, Szymon J. Zelewski, Piotr Durlak, Piotr Zieliński, Pawe Sobieszczyk, Ryszard Jakubas, Anna Piecha-Bisiorek|2025|Inorg.Chem.|64|9639|doi:10.1021/acs.inorgchem.5c00667
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ll8k1
title: CCDC 2400843: Experimental Crystal Structure Determination

description: Related Article: Aleksandra Krupińska, Bogumia Burzyńska, Vasyl Kinzhybalo, Bażej Dziuk, Przemysaw Szklarz, Dariusz Kajewski, Jan K. Zaręba, Ada Drwęcka, Szymon J. Zelewski, Piotr Durlak, Piotr Zieliński, Pawe Sobieszczyk, Ryszard Jakubas, Anna Piecha-Bisiorek|2025|Inorg.Chem.|64|9639|doi:10.1021/acs.inorgchem.5c00667
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n100r
title: CCDC 2443823: Experimental Crystal Structure Determination

description: Related Article: Corina Stoian, Żaneta Wawrzyńczak, Pim Puylaert, Jens Beckmann|2025|Eur.J.Inorg.Chem.|28|e202500216|doi:10.1002/ejic.202500216
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2n101s
title: CCDC 2443824: Experimental Crystal Structure Determination

description: Related Article: Corina Stoian, Żaneta Wawrzyńczak, Pim Puylaert, Jens Beckmann|2025|Eur.J.Inorg.Chem.|28|e202500216|doi:10.1002/ejic.202500216
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.