cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2m3j4f
title: CCDC 2416454: Experimental Crystal Structure Determination

description: Related Article: Fengxin Gao, Xiaocheng Xu, Xiaofan Yang, Dong Fang, Chengliang Xiao|2025|Inorg.Chem.|64|19338|doi:10.1021/acs.inorgchem.5c03099
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.cc2m4k3g
title: CCDC 2417445: Experimental Crystal Structure Determination

description: Related Article: Makayla R. Luevano, Cary R. Stennett, Eric Ma, Joseph W. Ziller, Filipp Furche, William J. Evans|2025|J.Am.Chem.Soc.|147|34249|doi:10.1021/jacs.5c14054
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.cc2m5sby
title: CCDC 2418630: Experimental Crystal Structure Determination

description: Related Article: Dongmin Kang, Minseok Kim, Heenang Choi, Jeong-Yoon Hwang, Gayeong Lim, Jaelim Kim, Youngsuk Kim|2025|J.Am.Chem.Soc.|147|35829|doi:10.1021/jacs.5c12377
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.cc2m5scz
title: CCDC 2418631: Experimental Crystal Structure Determination

description: Related Article: Dongmin Kang, Minseok Kim, Heenang Choi, Jeong-Yoon Hwang, Gayeong Lim, Jaelim Kim, Youngsuk Kim|2025|J.Am.Chem.Soc.|147|35829|doi:10.1021/jacs.5c12377
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.cc2kr68t
title: CCDC 2375786: Experimental Crystal Structure Determination

description: Related Article: Weinan Zhou, Yang Li, Lin Xiong, Wenjing Wang, Ruiyu Guan, Zhonghang Chen, Daqiang Yuan, En-Qing Gao, Dawei Zhang|2025|J.Am.Chem.Soc.|147|35664|doi:10.1021/jacs.5c11567
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.cc2kvcng
title: CCDC 2378836: Experimental Crystal Structure Determination

description: Related Article: Weinan Zhou, Yang Li, Lin Xiong, Wenjing Wang, Ruiyu Guan, Zhonghang Chen, Daqiang Yuan, En-Qing Gao, Dawei Zhang|2025|J.Am.Chem.Soc.|147|35664|doi:10.1021/jacs.5c11567
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.cc2kr69v
title: CCDC 2375787: Experimental Crystal Structure Determination

description: Related Article: Weinan Zhou, Yang Li, Lin Xiong, Wenjing Wang, Ruiyu Guan, Zhonghang Chen, Daqiang Yuan, En-Qing Gao, Dawei Zhang|2025|J.Am.Chem.Soc.|147|35664|doi:10.1021/jacs.5c11567
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.cc2kr6cx
title: CCDC 2375789: Experimental Crystal Structure Determination

description: Related Article: Weinan Zhou, Yang Li, Lin Xiong, Wenjing Wang, Ruiyu Guan, Zhonghang Chen, Daqiang Yuan, En-Qing Gao, Dawei Zhang|2025|J.Am.Chem.Soc.|147|35664|doi:10.1021/jacs.5c11567
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.cc2kr6bw
title: CCDC 2375788: Experimental Crystal Structure Determination

description: Related Article: Weinan Zhou, Yang Li, Lin Xiong, Wenjing Wang, Ruiyu Guan, Zhonghang Chen, Daqiang Yuan, En-Qing Gao, Dawei Zhang|2025|J.Am.Chem.Soc.|147|35664|doi:10.1021/jacs.5c11567
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.cc2m9tzr
title: CCDC 2422525: Experimental Crystal Structure Determination

description: Related Article: Watchara Sangsopha, Paratchata Batsomboon, Chatphorn Theppitak, Surasak Prachya, Dhanushka Darshana, Chulabhorn Mahidol, Somsak Ruchirawat|2025|J.Nat.Prod.|88|2171|doi:10.1021/acs.jnatprod.5c00759
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.cc2mg5gr
title: CCDC 2426694: Experimental Crystal Structure Determination

description: Related Article: Poonam Sharma, Pushkar Mehara, Ashish Kumar, Pralay Das|2025|Org.Lett.|27|10974|doi:10.1021/acs.orglett.5c03216
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.jmykkq
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Lagomorpha)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
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 "Geometry POLYGON((90 -90,120 -90,120 -60,90 -60,90 -90))"
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}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0049108-250920141307145/datasets/export for details.
DOI: 10.25505/fiz.icsd.cc2mm2x8
title: CSD 2431420: Experimental Crystal Structure Determination

description: Related Article: Eteri Svanidze, Andreas Leithe-Jasper, Marcus Schmidt, Nazar Zaremba, Mitja Krnel, Yurii Prots, Ulrich Burkhardt, Markus König, Reiner Ramlau, Berit H. Goodge, Yuri Grin|2025|J.Am.Chem.Soc.|147|35809|doi:10.1021/jacs.5c12203
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: 10.25505/fiz.icsd.cc2mm2y9
title: CSD 2431421: Experimental Crystal Structure Determination

description: Related Article: Eteri Svanidze, Andreas Leithe-Jasper, Marcus Schmidt, Nazar Zaremba, Mitja Krnel, Yurii Prots, Ulrich Burkhardt, Markus König, Reiner Ramlau, Berit H. Goodge, Yuri Grin|2025|J.Am.Chem.Soc.|147|35809|doi:10.1021/jacs.5c12203
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: 10.25505/fiz.icsd.cc2mm2zb
title: CSD 2431422: Experimental Crystal Structure Determination

description: Related Article: Eteri Svanidze, Andreas Leithe-Jasper, Marcus Schmidt, Nazar Zaremba, Mitja Krnel, Yurii Prots, Ulrich Burkhardt, Markus König, Reiner Ramlau, Berit H. Goodge, Yuri Grin|2025|J.Am.Chem.Soc.|147|35809|doi:10.1021/jacs.5c12203
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: 10.25505/fiz.icsd.cc2mm30d
title: CSD 2431423: Experimental Crystal Structure Determination

description: Related Article: Eteri Svanidze, Andreas Leithe-Jasper, Marcus Schmidt, Nazar Zaremba, Mitja Krnel, Yurii Prots, Ulrich Burkhardt, Markus König, Reiner Ramlau, Berit H. Goodge, Yuri Grin|2025|J.Am.Chem.Soc.|147|35809|doi:10.1021/jacs.5c12203
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: 10.25505/fiz.icsd.cc2mm2bp
title: CSD 2431402: Experimental Crystal Structure Determination

description: Related Article: Eteri Svanidze, Andreas Leithe-Jasper, Marcus Schmidt, Nazar Zaremba, Mitja Krnel, Yurii Prots, Ulrich Burkhardt, Markus König, Reiner Ramlau, Berit H. Goodge, Yuri Grin|2025|J.Am.Chem.Soc.|147|35809|doi:10.1021/jacs.5c12203
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: 10.25505/fiz.icsd.cc2mm32g
title: CSD 2431425: Experimental Crystal Structure Determination

description: Related Article: Eteri Svanidze, Andreas Leithe-Jasper, Marcus Schmidt, Nazar Zaremba, Mitja Krnel, Yurii Prots, Ulrich Burkhardt, Markus König, Reiner Ramlau, Berit H. Goodge, Yuri Grin|2025|J.Am.Chem.Soc.|147|35809|doi:10.1021/jacs.5c12203
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: 10.25505/fiz.icsd.cc2mm33h
title: CSD 2431426: Experimental Crystal Structure Determination

description: Related Article: Eteri Svanidze, Andreas Leithe-Jasper, Marcus Schmidt, Nazar Zaremba, Mitja Krnel, Yurii Prots, Ulrich Burkhardt, Markus König, Reiner Ramlau, Berit H. Goodge, Yuri Grin|2025|J.Am.Chem.Soc.|147|35809|doi:10.1021/jacs.5c12203
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.cc2myp5g
title: CCDC 2441596: Experimental Crystal Structure Determination

description: Related Article: Qiling Li, Yuxiang Zhao, Xianfu Shen, Shu-Biao Xia, Jian-Jun Liu|2025|Cryst.Growth Des.|25|8002|doi:10.1021/acs.cgd.5c00582
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.cc2n04wq
title: CCDC 2443013: Experimental Crystal Structure Determination

description: Related Article: Hayato Nishiguchi, Sensuke Ogoshi, Ryohei Doi|2025|J.Org.Chem.|90|13844|doi:10.1021/acs.joc.5c01513
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.cc2n34hf
title: CCDC 2445884: Experimental Crystal Structure Determination

description: Related Article: Kevin Lam, Pedro Molina-Portillo, Veronica Carta, Tomohiko Nishiuchi, Matthew Ticknor, Ryan C. Hayward, Rabih O. Al-Kaysi, Takashi Kubo, Gregory J. O. Beran, Christopher J. Bardeen|2025|Cryst.Growth Des.|25|8089|doi:10.1021/acs.cgd.5c00851
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.cc2n34jg
title: CCDC 2445885: Experimental Crystal Structure Determination

description: Related Article: Kevin Lam, Pedro Molina-Portillo, Veronica Carta, Tomohiko Nishiuchi, Matthew Ticknor, Ryan C. Hayward, Rabih O. Al-Kaysi, Takashi Kubo, Gregory J. O. Beran, Christopher J. Bardeen|2025|Cryst.Growth Des.|25|8089|doi:10.1021/acs.cgd.5c00851
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.cc2n34kh
title: CCDC 2445886: Experimental Crystal Structure Determination

description: Related Article: Kevin Lam, Pedro Molina-Portillo, Veronica Carta, Tomohiko Nishiuchi, Matthew Ticknor, Ryan C. Hayward, Rabih O. Al-Kaysi, Takashi Kubo, Gregory J. O. Beran, Christopher J. Bardeen|2025|Cryst.Growth Des.|25|8089|doi:10.1021/acs.cgd.5c00851
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.cc2n34lj
title: CCDC 2445887: Experimental Crystal Structure Determination

description: Related Article: Kevin Lam, Pedro Molina-Portillo, Veronica Carta, Tomohiko Nishiuchi, Matthew Ticknor, Ryan C. Hayward, Rabih O. Al-Kaysi, Takashi Kubo, Gregory J. O. Beran, Christopher J. Bardeen|2025|Cryst.Growth Des.|25|8089|doi:10.1021/acs.cgd.5c00851
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.cc2n34mk
title: CCDC 2445888: Experimental Crystal Structure Determination

description: Related Article: Kevin Lam, Pedro Molina-Portillo, Veronica Carta, Tomohiko Nishiuchi, Matthew Ticknor, Ryan C. Hayward, Rabih O. Al-Kaysi, Takashi Kubo, Gregory J. O. Beran, Christopher J. Bardeen|2025|Cryst.Growth Des.|25|8089|doi:10.1021/acs.cgd.5c00851
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.cc2n34nl
title: CCDC 2445889: Experimental Crystal Structure Determination

description: Related Article: Kevin Lam, Pedro Molina-Portillo, Veronica Carta, Tomohiko Nishiuchi, Matthew Ticknor, Ryan C. Hayward, Rabih O. Al-Kaysi, Takashi Kubo, Gregory J. O. Beran, Christopher J. Bardeen|2025|Cryst.Growth Des.|25|8089|doi:10.1021/acs.cgd.5c00851
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: 10.26023/97h4-k6rf-k40t
title: IHOP_2002: Mobile Integrated Profiling System (MIPS) Surface Images. Version 1.0

description: This dataset contains Mesonet Mobile Integrated Profiling System (MIPS) Surface images from the University of Alabama in Huntsville.
DOI: 10.5517/ccdc.csd.cc2n34pm
title: CCDC 2445890: Experimental Crystal Structure Determination

description: Related Article: Kevin Lam, Pedro Molina-Portillo, Veronica Carta, Tomohiko Nishiuchi, Matthew Ticknor, Ryan C. Hayward, Rabih O. Al-Kaysi, Takashi Kubo, Gregory J. O. Beran, Christopher J. Bardeen|2025|Cryst.Growth Des.|25|8089|doi:10.1021/acs.cgd.5c00851
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.cc2n0zc1
title: CCDC 2443803: Experimental Crystal Structure Determination

description: Related Article: Makayla R. Luevano, Cary R. Stennett, Eric Ma, Joseph W. Ziller, Filipp Furche, William J. Evans|2025|J.Am.Chem.Soc.|147|34249|doi:10.1021/jacs.5c14054
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.cc2n6849
title: CCDC 2448880: Experimental Crystal Structure Determination

description: Related Article: Jiaqi Li, Yu Li, Kaiyuan Wang, Zhenjie Zhang, Shuhui Ding, Zhaoyang Yao, Yaxiao Guo, Chenxi Li, Xiangjian Wan, Yongsheng Chen|2025|Chem.Mater.|37|7390|doi:10.1021/acs.chemmater.5c01702
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.cc2n685b
title: CCDC 2448881: Experimental Crystal Structure Determination

description: Related Article: Jiaqi Li, Yu Li, Kaiyuan Wang, Zhenjie Zhang, Shuhui Ding, Zhaoyang Yao, Yaxiao Guo, Chenxi Li, Xiangjian Wan, Yongsheng Chen|2025|Chem.Mater.|37|7390|doi:10.1021/acs.chemmater.5c01702
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.cc2n7y3z
title: CCDC 2450491: Experimental Crystal Structure Determination

description: Related Article: Makayla R. Luevano, Cary R. Stennett, Eric Ma, Joseph W. Ziller, Filipp Furche, William J. Evans|2025|J.Am.Chem.Soc.|147|34249|doi:10.1021/jacs.5c14054
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.cc2ncyzz
title: CCDC 2454362: Experimental Crystal Structure Determination

description: Related Article: Gui-Quan Guo, Hong-Da Zhang, Ye Tao, Yu-Ting Jing, Xiao Kang, Hai-Ye Li, Fu-Ping Huang|2025|Cryst.Growth Des.|25|8100|doi:10.1021/acs.cgd.5c00853
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.cc2nfzx0
title: CCDC 2456313: Experimental Crystal Structure Determination

description: Related Article: Emil Thomsen, Guang Wu, Alison Butler|2025|J.Am.Chem.Soc.|147|36007|doi:10.1021/jacs.5c13791
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.