cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc20lyf0
title: CCDC 1865252: Experimental Crystal Structure Determination

description: Related Article: Yi Jiun Tan, Yee Seng Tan, Chien Ing Yeo, Jactty Chew, Edward R.T. Tiekink|2019|J.Inorg.Biochem.|192|107|doi:10.1016/j.jinorgbio.2018.12.017
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.cc20lyg1
title: CCDC 1865253: Experimental Crystal Structure Determination

description: Related Article: Yi Jiun Tan, Yee Seng Tan, Chien Ing Yeo, Jactty Chew, Edward R.T. Tiekink|2019|J.Inorg.Biochem.|192|107|doi:10.1016/j.jinorgbio.2018.12.017
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.cc20lyh2
title: CCDC 1865254: Experimental Crystal Structure Determination

description: Related Article: Yi Jiun Tan, Yee Seng Tan, Chien Ing Yeo, Jactty Chew, Edward R.T. Tiekink|2019|J.Inorg.Biochem.|192|107|doi:10.1016/j.jinorgbio.2018.12.017
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.cc20m5g9
title: CCDC 1865470: Experimental Crystal Structure Determination

description: Related Article: Boting Yang, Jin-Gang Jiang, Hao Xu, Haihong Wu, Mingyuan He, Peng Wu|2018|Angew.Chem.,Int.Ed.|57|9515|doi:10.1002/anie.201805535
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.cc20lyp8
title: CCDC 1865260: Experimental Crystal Structure Determination

description: Related Article: Debotra Sarkar,  Vitaly Nesterov,  Tibor Szilvási,  Philipp J. Altmann,  Shigeyoshi Inoue|2019|Chem.-Eur.J.|25|1198|doi:10.1002/chem.201805604
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.cc20lz2p
title: CCDC 1865272: Experimental Crystal Structure Determination

description: Related Article: Rasha Hamze, Jesse L. Peltier, Daniel Sylvinson, Moonchul Jung, Jose Cardenas, Ralf Haiges, Michele Soleilhavoup, Rodolphe Jazzar, Peter I. Djurovich, Guy Bertrand, Mark E. Thompson|2019|Science|363|601|doi:10.1126/science.aav2865
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.cc20lz3q
title: CCDC 1865273: Experimental Crystal Structure Determination

description: Related Article: Rasha Hamze, Jesse L. Peltier, Daniel Sylvinson, Moonchul Jung, Jose Cardenas, Ralf Haiges, Michele Soleilhavoup, Rodolphe Jazzar, Peter I. Djurovich, Guy Bertrand, Mark E. Thompson|2019|Science|363|601|doi:10.1126/science.aav2865
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.cc20lz4r
title: CCDC 1865274: Experimental Crystal Structure Determination

description: Related Article: Rasha Hamze, Jesse L. Peltier, Daniel Sylvinson, Moonchul Jung, Jose Cardenas, Ralf Haiges, Michele Soleilhavoup, Rodolphe Jazzar, Peter I. Djurovich, Guy Bertrand, Mark E. Thompson|2019|Science|363|601|doi:10.1126/science.aav2865
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.cc20lz5s
title: CCDC 1865275: Experimental Crystal Structure Determination

description: Related Article: Rasha Hamze, Jesse L. Peltier, Daniel Sylvinson, Moonchul Jung, Jose Cardenas, Ralf Haiges, Michele Soleilhavoup, Rodolphe Jazzar, Peter I. Djurovich, Guy Bertrand, Mark E. Thompson|2019|Science|363|601|doi:10.1126/science.aav2865
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.cc20lz6t
title: CCDC 1865276: Experimental Crystal Structure Determination

description: Related Article: Rasha Hamze, Jesse L. Peltier, Daniel Sylvinson, Moonchul Jung, Jose Cardenas, Ralf Haiges, Michele Soleilhavoup, Rodolphe Jazzar, Peter I. Djurovich, Guy Bertrand, Mark E. Thompson|2019|Science|363|601|doi:10.1126/science.aav2865
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.cc20lz7v
title: CCDC 1865277: Experimental Crystal Structure Determination

description: Related Article: Rasha Hamze, Jesse L. Peltier, Daniel Sylvinson, Moonchul Jung, Jose Cardenas, Ralf Haiges, Michele Soleilhavoup, Rodolphe Jazzar, Peter I. Djurovich, Guy Bertrand, Mark E. Thompson|2019|Science|363|601|doi:10.1126/science.aav2865
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.cc20lz9x
title: CCDC 1865279: Experimental Crystal Structure Determination

description: Related Article: Igor M. Shlyapnikov,  Evgeny A. Goreshnik,  Zoran Mazej|2018|Eur.J.Inorg.Chem.|2018|5246|doi:10.1002/ejic.201801207
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.cc20lzby
title: CCDC 1865280: Experimental Crystal Structure Determination

description: Related Article: Igor M. Shlyapnikov,  Evgeny A. Goreshnik,  Zoran Mazej|2018|Eur.J.Inorg.Chem.|2018|5246|doi:10.1002/ejic.201801207
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: 10.14272/rjoywtpjyznrjd-uhfffaoysa-n/chmo0000630.4
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.5517/ccdc.csd.cc20lzcz
title: CCDC 1865281: Experimental Crystal Structure Determination

description: Related Article: Igor M. Shlyapnikov,  Evgeny A. Goreshnik,  Zoran Mazej|2018|Eur.J.Inorg.Chem.|2018|5246|doi:10.1002/ejic.201801207
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: 10.14272/rjoywtpjyznrjd-uhfffaoysa-n.11
title: 4-bromo[2.2]paracyclophane
title: InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2, and canonical SMILES descriptor[cheminf_000007]: Brc1cc2CCc3ccc(CCc1cc2)cc3, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-58171

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 127.0 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000482 | electrospray ionisation mass spectrometry (ESMS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.25505/fiz.icsd.cc20lzd0
title: CSD 1865282: Experimental Crystal Structure Determination

description: Related Article: Igor M. Shlyapnikov,  Evgeny A. Goreshnik,  Zoran Mazej|2018|Eur.J.Inorg.Chem.|2018|5246|doi:10.1002/ejic.201801207
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: 10.14272/rjoywtpjyznrjd-uhfffaoysa-n/chmo0001146.2
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/rjoywtpjyznrjd-uhfffaoysa-n/chmo0001150.1
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.5517/ccdc.csd.cc20lzf1
title: CCDC 1865283: Experimental Crystal Structure Determination

description: Related Article: Igor M. Shlyapnikov,  Evgeny A. Goreshnik,  Zoran Mazej|2018|Eur.J.Inorg.Chem.|2018|5246|doi:10.1002/ejic.201801207
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.cc20lzg2
title: CCDC 1865284: Experimental Crystal Structure Determination

description: Related Article: Igor M. Shlyapnikov,  Evgeny A. Goreshnik,  Zoran Mazej|2018|Eur.J.Inorg.Chem.|2018|5246|doi:10.1002/ejic.201801207
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: 10.14272/rjoywtpjyznrjd-uhfffaoysa-n/chmo0000595.5
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.25505/fiz.icsd.cc20lzh3
title: CSD 1865285: Experimental Crystal Structure Determination

description: Related Article: Igor M. Shlyapnikov,  Evgeny A. Goreshnik,  Zoran Mazej|2018|Eur.J.Inorg.Chem.|2018|5246|doi:10.1002/ejic.201801207
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: 10.14272/rjoywtpjyznrjd-uhfffaoysa-n/chmo0000482
title: electrospray ionisation mass spectrometry (ESMS) ()
title: InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2

description: dataset for electrospray ionisation mass spectrometry (ESMS)
DOI: 10.14272/rjoywtpjyznrjd-uhfffaoysa-n/chmo0000593.5
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.5517/ccdc.csd.cc20lzj4
title: CCDC 1865286: Experimental Crystal Structure Determination

description: Related Article: Igor M. Shlyapnikov,  Evgeny A. Goreshnik,  Zoran Mazej|2018|Eur.J.Inorg.Chem.|2018|5246|doi:10.1002/ejic.201801207
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.cc1p9l5r
title: CCDC 1558344: Experimental Crystal Structure Determination

description: Related Article: Vivek Chandrakant Wakchaure, María Mercedes Lorenzo-García, Francesco Fasano, Martina Crosta, Nicolas Biot, Nicola Demitri, Pradip Kumar Mondal, Benjamin D. Ward, Davide Bonifazi|2024|Angew.Chem.,Int.Ed.|63|e202416700|doi:10.1002/anie.202416700
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.cc20lzk5
title: CCDC 1865287: Experimental Crystal Structure Determination

description: Related Article: Igor M. Shlyapnikov,  Evgeny A. Goreshnik,  Zoran Mazej|2018|Eur.J.Inorg.Chem.|2018|5246|doi:10.1002/ejic.201801207
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.cc20lzxj
title: CCDC 1865298: Experimental Crystal Structure Determination

description: Related Article: Vivek Chandrakant Wakchaure, María Mercedes Lorenzo-García, Francesco Fasano, Martina Crosta, Nicolas Biot, Nicola Demitri, Pradip Kumar Mondal, Benjamin D. Ward, Davide Bonifazi|2024|Angew.Chem.,Int.Ed.|63|e202416700|doi:10.1002/anie.202416700
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.cc20lzyk
title: CCDC 1865299: Experimental Crystal Structure Determination

description: Related Article: Xuan-Rong Chen, Shao-Xian Liu, Qiu Ren, Zheng-Fang Tian, Xing-Cai Huang, Lifeng Wang, Xiao-Ming Ren|2018|J.Phys.Chem.B|122|12428|doi:10.1021/acs.jpcb.8b10492
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.cc20lzzl
title: CCDC 1865300: Experimental Crystal Structure Determination

description: Related Article: Xuan-Rong Chen, Shao-Xian Liu, Qiu Ren, Zheng-Fang Tian, Xing-Cai Huang, Lifeng Wang, Xiao-Ming Ren|2018|J.Phys.Chem.B|122|12428|doi:10.1021/acs.jpcb.8b10492
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.cc20m00p
title: CCDC 1865301: Experimental Crystal Structure Determination

description: Related Article: Xuan-Rong Chen, Shao-Xian Liu, Qiu Ren, Zheng-Fang Tian, Xing-Cai Huang, Lifeng Wang, Xiao-Ming Ren|2018|J.Phys.Chem.B|122|12428|doi:10.1021/acs.jpcb.8b10492
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.cc20m01q
title: CCDC 1865302: Experimental Crystal Structure Determination

description: Related Article: Xuan-Rong Chen, Shao-Xian Liu, Qiu Ren, Zheng-Fang Tian, Xing-Cai Huang, Lifeng Wang, Xiao-Ming Ren|2018|J.Phys.Chem.B|122|12428|doi:10.1021/acs.jpcb.8b10492
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.cc20m02r
title: CCDC 1865303: Experimental Crystal Structure Determination

description: Related Article: Xuan-Rong Chen, Shao-Xian Liu, Qiu Ren, Zheng-Fang Tian, Xing-Cai Huang, Lifeng Wang, Xiao-Ming Ren|2018|J.Phys.Chem.B|122|12428|doi:10.1021/acs.jpcb.8b10492
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.cc20m03s
title: CCDC 1865304: Experimental Crystal Structure Determination

description: Related Article: Xuan-Rong Chen, Shao-Xian Liu, Qiu Ren, Zheng-Fang Tian, Xing-Cai Huang, Lifeng Wang, Xiao-Ming Ren|2018|J.Phys.Chem.B|122|12428|doi:10.1021/acs.jpcb.8b10492
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.cc20m04t
title: CCDC 1865305: Experimental Crystal Structure Determination

description: Related Article: Xuan-Rong Chen, Shao-Xian Liu, Qiu Ren, Zheng-Fang Tian, Xing-Cai Huang, Lifeng Wang, Xiao-Ming Ren|2018|J.Phys.Chem.B|122|12428|doi:10.1021/acs.jpcb.8b10492
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.cc20m0d2
title: CCDC 1865313: Experimental Crystal Structure Determination

description: Related Article: Firoz Shah Tuglak Khan, Amit Kumar, Dipti Lai, Sankar Prasad Rath|2019|Inorg.Chim.Acta|484|503|doi:10.1016/j.ica.2018.09.047
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.