cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/mxkwihuapskvar-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (10-(4-ethynylphenyl)phenoxazine)
title: InChI=1S/C20H13NO/c1-2-15-11-13-16(14-12-15)21-17-7-3-5-9-19(17)22-20-10-6-4-8-18(20)21/h1,3-14H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.5517/cc11m71y
title: CCDC 971789: Experimental Crystal Structure Determination

description: Related Article: Guido J. Reiss|2013|Z.Kristallogr.-New Cryst.Struct.|228|407|doi:10.1524/ncrs.2013.0187
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/cc11m7b7
title: CCDC 971798: Experimental Crystal Structure Determination

description: Related Article: Guido J. Reiss|2013|Z.Kristallogr.-New Cryst.Struct.|228|431|doi:10.1524/ncrs.2013.0203
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/mxkwihuapskvar-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (10-(4-ethynylphenyl)phenoxazine)
title: InChI=1S/C20H13NO/c1-2-15-11-13-16(14-12-15)21-17-7-3-5-9-19(17)22-20-10-6-4-8-18(20)21/h1,3-14H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mxkwihuapskvar-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (10-(4-ethynylphenyl)phenoxazine)
title: InChI=1S/C20H13NO/c1-2-15-11-13-16(14-12-15)21-17-7-3-5-9-19(17)22-20-10-6-4-8-18(20)21/h1,3-14H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.5517/cc10kyh0
title: CCDC 940772: Experimental Crystal Structure Determination

description: Related Article: Ichiro Hisaki, Noriko Manabe, Keisuke Osaka, Akinori Saeki, Shu Seki, Norimitsu Tohnai, Mikiji Miyata|2014|Bull.Chem.Soc.Jpn.|87|323|doi:10.1246/bcsj.20130279
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/cc10kyj1
title: CCDC 940773: Experimental Crystal Structure Determination

description: Related Article: Ichiro Hisaki, Noriko Manabe, Keisuke Osaka, Akinori Saeki, Shu Seki, Norimitsu Tohnai, Mikiji Miyata|2014|Bull.Chem.Soc.Jpn.|87|323|doi:10.1246/bcsj.20130279
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/cc10kyk2
title: CCDC 940774: Experimental Crystal Structure Determination

description: Related Article: Ichiro Hisaki, Noriko Manabe, Keisuke Osaka, Akinori Saeki, Shu Seki, Norimitsu Tohnai, Mikiji Miyata|2014|Bull.Chem.Soc.Jpn.|87|323|doi:10.1246/bcsj.20130279
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/cc10kyl3
title: CCDC 940775: Experimental Crystal Structure Determination

description: Related Article: Ichiro Hisaki, Noriko Manabe, Keisuke Osaka, Akinori Saeki, Shu Seki, Norimitsu Tohnai, Mikiji Miyata|2014|Bull.Chem.Soc.Jpn.|87|323|doi:10.1246/bcsj.20130279
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/cc10kym4
title: CCDC 940776: Experimental Crystal Structure Determination

description: Related Article: Ichiro Hisaki, Noriko Manabe, Keisuke Osaka, Akinori Saeki, Shu Seki, Norimitsu Tohnai, Mikiji Miyata|2014|Bull.Chem.Soc.Jpn.|87|323|doi:10.1246/bcsj.20130279
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/cc10kyn5
title: CCDC 940777: Experimental Crystal Structure Determination

description: Related Article: Ichiro Hisaki, Noriko Manabe, Keisuke Osaka, Akinori Saeki, Shu Seki, Norimitsu Tohnai, Mikiji Miyata|2014|Bull.Chem.Soc.Jpn.|87|323|doi:10.1246/bcsj.20130279
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/cc11cpvy
title: CCDC 964560: Experimental Crystal Structure Determination

description: Related Article: Ichiro Hisaki, Noriko Manabe, Keisuke Osaka, Akinori Saeki, Shu Seki, Norimitsu Tohnai, Mikiji Miyata|2014|Bull.Chem.Soc.Jpn.|87|323|doi:10.1246/bcsj.20130279
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/cc11cpwz
title: CCDC 964561: Experimental Crystal Structure Determination

description: Related Article: Ichiro Hisaki, Noriko Manabe, Keisuke Osaka, Akinori Saeki, Shu Seki, Norimitsu Tohnai, Mikiji Miyata|2014|Bull.Chem.Soc.Jpn.|87|323|doi:10.1246/bcsj.20130279
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/cc11cpx0
title: CCDC 964562: Experimental Crystal Structure Determination

description: Related Article: Ichiro Hisaki, Noriko Manabe, Keisuke Osaka, Akinori Saeki, Shu Seki, Norimitsu Tohnai, Mikiji Miyata|2014|Bull.Chem.Soc.Jpn.|87|323|doi:10.1246/bcsj.20130279
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/khhialzhpcmmmt-uhfffaoysa-n.2
title: 10-(4-bromophenyl)phenoxazine
title: InChI=1S/C18H12BrNO/c19-13-9-11-14(12-10-13)20-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)20/h1-12H

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/C18H12BrNO/c19-13-9-11-14(12-10-13)20-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)20/h1-12H, and canonical SMILES descriptor[cheminf_000007]: Brc1ccc(cc1)N1c2ccccc2Oc2c1cccc2, and by the IUPAC name[cheminf_000107]: 10-(4-bromophenyl)phenoxazine.
 
 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-34318

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 200.5 - 201.6 (°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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C 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: 10.14272/khhialzhpcmmmt-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (10-(4-bromophenyl)phenoxazine)
title: InChI=1S/C18H12BrNO/c19-13-9-11-14(12-10-13)20-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)20/h1-12H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.5517/cc11cpy1
title: CCDC 964563: Experimental Crystal Structure Determination

description: Related Article: Ichiro Hisaki, Noriko Manabe, Keisuke Osaka, Akinori Saeki, Shu Seki, Norimitsu Tohnai, Mikiji Miyata|2014|Bull.Chem.Soc.Jpn.|87|323|doi:10.1246/bcsj.20130279
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/khhialzhpcmmmt-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (10-(4-bromophenyl)phenoxazine)
title: InChI=1S/C18H12BrNO/c19-13-9-11-14(12-10-13)20-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)20/h1-12H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.5517/cc11cq04
title: CCDC 964565: Experimental Crystal Structure Determination

description: Related Article: Ichiro Hisaki, Noriko Manabe, Keisuke Osaka, Akinori Saeki, Shu Seki, Norimitsu Tohnai, Mikiji Miyata|2014|Bull.Chem.Soc.Jpn.|87|323|doi:10.1246/bcsj.20130279
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/cc11cq15
title: CCDC 964566: Experimental Crystal Structure Determination

description: Related Article: Ichiro Hisaki, Noriko Manabe, Keisuke Osaka, Akinori Saeki, Shu Seki, Norimitsu Tohnai, Mikiji Miyata|2014|Bull.Chem.Soc.Jpn.|87|323|doi:10.1246/bcsj.20130279
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: 10.13140/rg.2.2.24530.47047
title: MEB-Türk Eğitim Sistemi Kitabının Sözcük Sayımı
DOI: 10.5517/cc11m6b6
title: CCDC 971767: Experimental Crystal Structure Determination

description: Related Article: Kang He,  Juan Zou,  Jin Xi Wang, Jiang Du|2013|Z.Kristallogr.-New Cryst.Struct.|228|327|doi:10.1524/ncrs.2013.0159
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/cc11m6f9
title: CCDC 971770: Experimental Crystal Structure Determination

description: Related Article: Qiang Wang,  Yunchang Fan,  Lin Feng, Yun Li|2013|Z.Kristallogr.-New Cryst.Struct.|228|333|doi:10.1524/ncrs.2013.0162
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/cc10sb15
title: CCDC 946896: Experimental Crystal Structure Determination

description: Related Article: Ying-Yu Qi and Shu-Xia Zhang|2013|Z.Kristallogr.-New Cryst.Struct.|228|341|doi:10.1524/ncrs.2013.0167
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/cc11m6hc
title: CCDC 971772: Experimental Crystal Structure Determination

description: Related Article: Hong-Tao Du,  Zhong-Fei Zhang,  Na Li,  Bing Hao, Jun-Ru Wang|2013|Z.Kristallogr.-New Cryst.Struct.|228|339|doi:10.1524/ncrs.2013.0166
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/cc11jybv
title: CCDC 969597: Experimental Crystal Structure Determination

description: Related Article: Yong-Sheng Yang,  Min Liu,  Xin Wang,  Jian-Bao Li and Qiong-Hua Jin|2013|Z.Kristallogr.-New Cryst.Struct.|228|353|doi:10.1524/ncrs.2013.0175
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/cc11m6lg
title: CCDC 971775: Experimental Crystal Structure Determination

description: Related Article: Xun Feng,  Guan Feng Li,  Shi-Yu Xie, Bei-Ya Su|2013|Z.Kristallogr.-New Cryst.Struct.|228|357|doi:10.1524/ncrs.2013.0177
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/cc11m72z
title: CCDC 971790: Experimental Crystal Structure Determination

description: Related Article: Ju-Wen Zhang, Xiao-Min Kan, Xiao-Hui Li, Chun-Hua Gong, Ai-Xiang Tian and Xiu-Li Wang|2014|Z.Anorg.Allg.Chem.|640|1293|doi:10.1002/zaac.201400019
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/cc1198qb
title: CCDC 962231: Experimental Crystal Structure Determination

description: Related Article: Veronica Gomez, Jordi Benet-Buchholz, Eddy Martin, Jose Galan-Mascaros|2014|Chem.-Eur.J.|20|5369|doi:10.1002/chem.201304537
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/ccwk0s6
title: CCDC 820718: Experimental Crystal Structure Determination

description: Related Article: Guangyin Wang|2013|Z.Kristallogr.-New Cryst.Struct.|228|425|doi:10.1524/ncrs.2013.0157
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/cc11m730
title: CCDC 971791: Experimental Crystal Structure Determination

description: Related Article: Pan Zhou, Zhihua Sun, Shuquan Zhang, Chengmin Ji, Sangen Zhao, Ren-Gen Xiong, Junhua Luo|2014|J.Mater.Chem.C|2|2341|doi:10.1039/C3TC32238F
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/cc11m741
title: CCDC 971792: Experimental Crystal Structure Determination

description: Related Article: Pan Zhou, Zhihua Sun, Shuquan Zhang, Chengmin Ji, Sangen Zhao, Ren-Gen Xiong, Junhua Luo|2014|J.Mater.Chem.C|2|2341|doi:10.1039/C3TC32238F
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: 10.13140/rg.2.2.15381.64486
title: VANCOUVER STYLE SUKMAWATI
DOI: 10.5517/cc11m752
title: CCDC 971793: Experimental Crystal Structure Determination

description: Related Article: Pan Zhou, Zhihua Sun, Shuquan Zhang, Chengmin Ji, Sangen Zhao, Ren-Gen Xiong, Junhua Luo|2014|J.Mater.Chem.C|2|2341|doi:10.1039/C3TC32238F
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/cc11m7fb
title: CCDC 971801: Experimental Crystal Structure Determination

description: Related Article: Jeanette See Leng Yap, Bin Bin Li, Jonathan Wong, Yongxin Li, Sumod A. Pullarkat, Pak-Hing Leung|2014|Dalton Trans.|43|5777|doi:10.1039/C4DT00062E
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/cc11m7gc
title: CCDC 971802: Experimental Crystal Structure Determination

description: Related Article: Jeanette See Leng Yap, Bin Bin Li, Jonathan Wong, Yongxin Li, Sumod A. Pullarkat, Pak-Hing Leung|2014|Dalton Trans.|43|5777|doi:10.1039/C4DT00062E
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/cc11m7hd
title: CCDC 971803: Experimental Crystal Structure Determination

description: Related Article: Jeanette See Leng Yap, Bin Bin Li, Jonathan Wong, Yongxin Li, Sumod A. Pullarkat, Pak-Hing Leung|2014|Dalton Trans.|43|5777|doi:10.1039/C4DT00062E
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/cc11m7jf
title: CCDC 971804: Experimental Crystal Structure Determination

description: Related Article: Jeanette See Leng Yap, Bin Bin Li, Jonathan Wong, Yongxin Li, Sumod A. Pullarkat, Pak-Hing Leung|2014|Dalton Trans.|43|5777|doi:10.1039/C4DT00062E
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/cc11m7kg
title: CCDC 971805: Experimental Crystal Structure Determination

description: Related Article: Jeanette See Leng Yap, Bin Bin Li, Jonathan Wong, Yongxin Li, Sumod A. Pullarkat, Pak-Hing Leung|2014|Dalton Trans.|43|5777|doi:10.1039/C4DT00062E
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/cc11m7lh
title: CCDC 971806: Experimental Crystal Structure Determination

description: Related Article: Xinhui Tian, Rongcai Yue, Shoude Zhang, Yunheng Shen, Ji Ye, Lei Shan, Huiliang Li, Bo Wen, Xike Xu, Weidong Zhang|2014|Eur.J.Org.Chem.|2014|4753|doi:10.1002/ejoc.201402406
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.