cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2f3vp3
title: CCDC 2238035: Experimental Crystal Structure Determination

description: Related Article: Johanna Proessdorf, Christian Jandl, Thomas Pickl, Thorsten Bach|2023|Synthesis|55|2311|doi:10.1055/s-0042-1751442
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.cc2f3vq4
title: CCDC 2238036: Experimental Crystal Structure Determination

description: Related Article: Johanna Proessdorf, Christian Jandl, Thomas Pickl, Thorsten Bach|2023|Synthesis|55|2311|doi:10.1055/s-0042-1751442
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.cc2f3vr5
title: CCDC 2238037: Experimental Crystal Structure Determination

description: Related Article: Shaista Ramzan, Shahnaz Rahim, Syed Tasleem Hussain, Katherine B. Holt, Jeremy Karl Cockcroft, Niaz Muhammad, Zia Ur‐Rehman, Asif Nawaz, Shaukat Shujah|2023|Appl.Organomet.Chem.|37|e7161|doi:10.1002/aoc.7161
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.cc2f3yj1
title: CCDC 2238123: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3yk2
title: CCDC 2238124: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3yl3
title: CCDC 2238125: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3ym4
title: CCDC 2238126: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3yn5
title: CCDC 2238127: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3yp6
title: CCDC 2238128: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3yq7
title: CCDC 2238129: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3yr8
title: CCDC 2238130: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3ys9
title: CCDC 2238131: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3ytb
title: CCDC 2238132: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3yvc
title: CCDC 2238133: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3ywd
title: CCDC 2238134: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3yxf
title: CCDC 2238135: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3yyg
title: CCDC 2238136: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3yzh
title: CCDC 2238137: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3z0k
title: CCDC 2238138: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3z1l
title: CCDC 2238139: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3z2m
title: CCDC 2238140: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3z3n
title: CCDC 2238141: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3z4p
title: CCDC 2238142: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2f3z5q
title: CCDC 2238143: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2dd522
title: CCDC 2216223: Experimental Crystal Structure Determination

description: Related Article: Jing Sun, Xiaodan Yan, Lingzheng Wang, Zhenlang Xie, Guolong Tian, Lin Wang, Ayisha He, Simin Li, Qingxiang Guo, Chaolumen, Jinlu He, Hui Shen|2023|Inorg.Chem.|62|9005|doi:10.1021/acs.inorgchem.3c00710
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.cc2f3z6r
title: CCDC 2238144: Experimental Crystal Structure Determination

description: Related Article: Andre Sanchez, Anjali Gurajapu, Wentao Guo, Wang-Yeuk Kong, Croix J. Laconsay, Nicholas S. Settineri, Dean J. Tantillo, Thomas J. Maimone|2023|J.Am.Chem.Soc.|145|13452|doi:10.1021/jacs.3c03960
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.cc2dd5jj
title: CCDC 2216237: Experimental Crystal Structure Determination

description: Related Article: Jing Sun, Xiaodan Yan, Lingzheng Wang, Zhenlang Xie, Guolong Tian, Lin Wang, Ayisha He, Simin Li, Qingxiang Guo, Chaolumen, Jinlu He, Hui Shen|2023|Inorg.Chem.|62|9005|doi:10.1021/acs.inorgchem.3c00710
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.cc2dd5kk
title: CCDC 2216238: Experimental Crystal Structure Determination

description: Related Article: Sun, Jing, Yan, Xiaodan, Wang, Lingzheng, Xie, Zhenlang, Tian, Guolong, Wang, Lin, He, Ayisha, Li, Simin, Guo, Qingxiang, Chaolumen, He, Jinlu, Shen, Hui|2023|Inorg.Chem.|62|9005|doi:10.1021/acs.inorgchem.3c00710
description: Related Article: Jing Sun, Xiaodan Yan, Lingzheng Wang, Zhenlang Xie, Guolong Tian, Lin Wang, Ayisha He, Simin Li, Qingxiang Guo, Chaolumen, Jinlu He, Hui Shen|2023|Inorg.Chem.|62|9005|doi:10.1021/acs.inorgchem.3c00710
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.cc1z2237
title: CCDC 1819238: Experimental Crystal Structure Determination

description: Related Article: Yu Kitazawa|2023|CSD Communication|||
description: Related Article: Yu Kitazawa, Mahiro Hoshino, Daisuke Hashizume, Atsuya Muranaka, Mutsumi Kimura, Masanobu Uchiyama|2025|J.Org.Chem.|90|4480|doi:10.1021/acs.joc.4c02241
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.cc2f3w8q
title: CCDC 2238053: Experimental Crystal Structure Determination

description: Related Article: Masayoshi Takase, Aiki Sagawa, Shigeki Mori, Tetsuo Okujima, Hidemitsu Uno|2023|J.Org.Chem.|88|9413|doi:10.1021/acs.joc.3c00196
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.cc2f3w9r
title: CCDC 2238054: Experimental Crystal Structure Determination

description: Related Article: Masayoshi Takase, Aiki Sagawa, Shigeki Mori, Tetsuo Okujima, Hidemitsu Uno|2023|J.Org.Chem.|88|9413|doi:10.1021/acs.joc.3c00196
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.cc2f3wbs
title: CCDC 2238055: Experimental Crystal Structure Determination

description: Related Article: Masayoshi Takase, Aiki Sagawa, Shigeki Mori, Tetsuo Okujima, Hidemitsu Uno|2023|J.Org.Chem.|88|9413|doi:10.1021/acs.joc.3c00196
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.cc2f3wct
title: CCDC 2238056: Experimental Crystal Structure Determination

description: Related Article: Masayoshi Takase, Aiki Sagawa, Shigeki Mori, Tetsuo Okujima, Hidemitsu Uno|2023|J.Org.Chem.|88|9413|doi:10.1021/acs.joc.3c00196
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.cc2f3wdv
title: CCDC 2238057: Experimental Crystal Structure Determination

description: Related Article: Liguo Teng, Shaofan Wang, Wenxiang Zhu, Xian Dong, Tiebo Xiao, Guiping Qin, Edward A. Anderson, Yubo Jiang|2025|Org.Lett.|27|6895|doi:10.1021/acs.orglett.5c02157
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.cc2f3why
title: CCDC 2238060: Experimental Crystal Structure Determination

description: Related Article: Reema L. Borkar, Mamina Bhol, Bhaskaran Shankar, Johannes Karges, Malaichamy Sathiyendiran|2024|Cryst.Growth Des.|24|1987|doi:10.1021/acs.cgd.3c01249
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.