cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2f79jj
title: CCDC 2241347: Experimental Crystal Structure Determination

description: Related Article: You-Jun Yu|2023|CSD Communication|||
description: Related Article: You-Jun Yu, Zi-Qi Feng, Xin-Yue Meng, Long Chen, Fu-Ming Liu, Sheng-Yi Yang, Dong-Ying Zhou, Liang-Sheng Liao, Zuo-Quan Jiang|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202310047
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.cc2f79kk
title: CCDC 2241348: Experimental Crystal Structure Determination

description: Related Article: You-Jun Yu|2023|CSD Communication|||
description: Related Article: You-Jun Yu, Zi-Qi Feng, Xin-Yue Meng, Long Chen, Fu-Ming Liu, Sheng-Yi Yang, Dong-Ying Zhou, Liang-Sheng Liao, Zuo-Quan Jiang|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202310047
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.cc2f7gbh
title: CCDC 2241496: Experimental Crystal Structure Determination

description: Related Article: Gaoli Hu, Qi Liu, Yi Zhou, Wei Yan, Yuqing Sun, Shuang Peng, Chengbin Zhao, Xiang Zhou, Hexiang Deng|2023|J.Am.Chem.Soc.|145|13181|doi:10.1021/jacs.3c02128
description: Related Article: Gaoli Hu, Qi Liu, Yi Zhou, Wei Yan, Yuqing Sun, Shuang Peng, Chengbin Zhao, Xiang Zhou, Hexiang Deng|2023|J.Am.Chem.Soc.|145|13181|doi:10.1021/jacs.3c02128
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.cc2f7gcj
title: CCDC 2241497: Experimental Crystal Structure Determination

description: Related Article: Gaoli Hu, Qi Liu, Yi Zhou, Wei Yan, Yuqing Sun, Shuang Peng, Chengbin Zhao, Xiang Zhou, Hexiang Deng|2023|J.Am.Chem.Soc.|145|13181|doi:10.1021/jacs.3c02128
description: Related Article: Gaoli Hu, Qi Liu, Yi Zhou, Wei Yan, Yuqing Sun, Shuang Peng, Chengbin Zhao, Xiang Zhou, Hexiang Deng|2023|J.Am.Chem.Soc.|145|13181|doi:10.1021/jacs.3c02128
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.cc2f7gdk
title: CCDC 2241498: Experimental Crystal Structure Determination

description: Related Article: Gaoli Hu, Qi Liu, Yi Zhou, Wei Yan, Yuqing Sun, Shuang Peng, Chengbin Zhao, Xiang Zhou, Hexiang Deng|2023|J.Am.Chem.Soc.|145|13181|doi:10.1021/jacs.3c02128
description: Related Article: Gaoli Hu, Qi Liu, Yi Zhou, Wei Yan, Yuqing Sun, Shuang Peng, Chengbin Zhao, Xiang Zhou, Hexiang Deng|2023|J.Am.Chem.Soc.|145|13181|doi:10.1021/jacs.3c02128
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.cc2f79ss
title: CCDC 2241355: Experimental Crystal Structure Determination

description: Related Article: Yun-Shan Xue, Zheng-Chen Tian, Xin-Yue Zhang, Wen-Jing Wang, Jia-Hao Dai, Rui-Qi Chen, Xiao-Juan Xu, Jun Wang|2024|Spectrochim.Acta,Part A|316|124340|doi:10.1016/j.saa.2024.124340
description: Related Article: Yun-Shan Xue, Zheng-Chen Tian, Xin-Yue Zhang, Wen-Jing Wang, Jia-Hao Dai, Rui-Qi Chen, Xiao-Juan Xu, Jun Wang|2024|Spectrochim.Acta,Part A|316|124340|doi:10.1016/j.saa.2024.124340
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.cc2f7bdf
title: CCDC 2241374: Experimental Crystal Structure Determination

description: Related Article: Jiao Ma, Liuli Dong, Jiarong Yao, Aijun Lin, Hequan Yao|2023|Adv.Synth.Catal.|365|2043|doi:10.1002/adsc.202300200
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.cc2f7bfg
title: CCDC 2241375: Experimental Crystal Structure Determination

description: Related Article: K. Sadek|2023|CSD Communication|||
description: Related Article: Laila A. Jaraph-Alhadad, Ramadan Ahmed Mekheimer, Moustafa Sherif Moustafa, Afaf Abdel-Hameed, Mohamed Abd-Elmonem, Gamal El-Din A. Abuo-Rahma, Kamal Usef Sadek|2023|ARKIVOC|2023|202312043-7|doi:10.24820/ark.5550190.p012.043
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.cc2f7bhj
title: CCDC 2241377: Experimental Crystal Structure Determination

description: Related Article: Sasi Sree Marupalli, Mariyaraj Arockiaraj, Gargi Singh, Venkatachalam Rajeshkumar|2023|J.Org.Chem.|88|12783|doi:10.1021/acs.joc.3c00657
description: Related Article: Sasi Sree Marupalli, Mariyaraj Arockiaraj, Gargi Singh, Venkatachalam Rajeshkumar|2023|J.Org.Chem.|88|12783|doi:10.1021/acs.joc.3c00657
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.cc2f7bvw
title: CCDC 2241388: Experimental Crystal Structure Determination

description: Related Article: Leif E. Hertwig, Thilo Bender, Felix J. Becker, Patrick Jäger, Serhiy Demeshko, Sophie Jana Gross, Joachim Ballmann, Dragoş-Adrian Roşca|2023|ACS Catalysis|13|6416|doi:10.1021/acscatal.3c01305
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.cc2f7bwx
title: CCDC 2241389: Experimental Crystal Structure Determination

description: Related Article: Leif E. Hertwig, Thilo Bender, Felix J. Becker, Patrick Jäger, Serhiy Demeshko, Sophie Jana Gross, Joachim Ballmann, Dragoş-Adrian Roşca|2023|ACS Catalysis|13|6416|doi:10.1021/acscatal.3c01305
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.cc2f7bxy
title: CCDC 2241390: Experimental Crystal Structure Determination

description: Related Article: Leif E. Hertwig, Thilo Bender, Felix J. Becker, Patrick Jäger, Serhiy Demeshko, Sophie Jana Gross, Joachim Ballmann, Dragoş-Adrian Roşca|2023|ACS Catalysis|13|6416|doi:10.1021/acscatal.3c01305
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.cc2f7byz
title: CCDC 2241391: Experimental Crystal Structure Determination

description: Related Article: Leif E. Hertwig, Thilo Bender, Felix J. Becker, Patrick Jäger, Serhiy Demeshko, Sophie Jana Gross, Joachim Ballmann, Dragoş-Adrian Roşca|2023|ACS Catalysis|13|6416|doi:10.1021/acscatal.3c01305
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.cc2f7bz0
title: CCDC 2241392: Experimental Crystal Structure Determination

description: Related Article: Leif E. Hertwig, Thilo Bender, Felix J. Becker, Patrick Jäger, Serhiy Demeshko, Sophie Jana Gross, Joachim Ballmann, Dragoş-Adrian Roşca|2023|ACS Catalysis|13|6416|doi:10.1021/acscatal.3c01305
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.cc2f7c02
title: CCDC 2241393: Experimental Crystal Structure Determination

description: Related Article: Leif E. Hertwig, Thilo Bender, Felix J. Becker, Patrick Jäger, Serhiy Demeshko, Sophie Jana Gross, Joachim Ballmann, Dragoş-Adrian Roşca|2023|ACS Catalysis|13|6416|doi:10.1021/acscatal.3c01305
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.cc2f7c79
title: CCDC 2241400: Experimental Crystal Structure Determination

description: Related Article: Xiao-Wang Chen, Chao Li, Yong-Yuan Gui, Lei Zhu, Jun-Ping Yue, Qi Zhou, Li-Li Liao, Jing-Wei Yang, Yu Lan, Da-Gang Yu|2024|Angew.Chem.,Int.Ed.|63|e202403401|doi:10.1002/anie.202403401
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.cc2f7cbd
title: CCDC 2241403: Experimental Crystal Structure Determination

description: Related Article: Daiki Higuchi, Satoshi Matsubara, Hiroki Kadowaki, Daisuke Tanaka, Kei Murakami|2023|Chem.-Eur.J.|29|e202301071|doi:10.1002/chem.202301071
description: Related Article: Kei Murakami|2023|CSD Communication|||
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.cc2f7cdg
title: CCDC 2241405: Experimental Crystal Structure Determination

description: Related Article: Dapeng Li, Xiaojuan Wang, Chao Zhu, Zhaoxin Meng, Liyan Zhang, Guozan Yuan|2023|Jiegou Huaxue|42|100094|doi:10.1016/j.cjsc.2023.100094
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.cc2f7cln
title: CCDC 2241411: Experimental Crystal Structure Determination

description: Related Article: Indrajit Giri, Sagar Biswas, Shant Chhetri, Anwesha Choudhuri, Indrajit Mondal, Satyaprasad P. Senanayak, Parameswar Krishnan Iyer, Debangshu Chaudhuri, Ratheesh K. Vijayaraghavan|2024|RSC Advances|14|7915|doi:10.1039/D4RA01499E
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.cc2f7cmp
title: CCDC 2241412: Experimental Crystal Structure Determination

description: Related Article: Yoshiki Kiyota, Seiji Ono, Kaito Sasaki, Nanako Tamai, Hironori Sugimoto, Yosuke Okamura, Shinichi Koguchi, Masashi Higuchi, Yu Nagase, Naoki Shinyashiki, Sayaka Uchida, Takeru Ito|2024|ChemNanoMat|10|e202400188|doi:10.1002/cnma.202400188
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.cc2f79pp
title: CCDC 2241352: Experimental Crystal Structure Determination

description: Related Article: B. Xu, W. Yao, X. Yu, D. G. Samsonenko, V. P. Fedin, E. Gao |2023|Russ.J.Coord.Chem.|49|771|doi:10.1134/S1070328423600316
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.cc2f7cnq
title: CCDC 2241413: Experimental Crystal Structure Determination

description: Related Article: Yoshiki Kiyota, Seiji Ono, Kaito Sasaki, Nanako Tamai, Hironori Sugimoto, Yosuke Okamura, Shinichi Koguchi, Masashi Higuchi, Yu Nagase, Naoki Shinyashiki, Sayaka Uchida, Takeru Ito|2024|ChemNanoMat|10|e202400188|doi:10.1002/cnma.202400188
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.cc2f7cqs
title: CCDC 2241415: Experimental Crystal Structure Determination

description: Related Article: Ekaterina A Lystsova, Maksim V Dmitriev, Andrey N Maslivets, Ekaterina E Khramtsova|2023|Beilstein J.Org.Chem.|19|646|doi:10.3762/bjoc.19.46
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.cc2f7crt
title: CCDC 2241416: Experimental Crystal Structure Determination

description: Related Article: Ekaterina A Lystsova, Maksim V Dmitriev, Andrey N Maslivets, Ekaterina E Khramtsova|2023|Beilstein J.Org.Chem.|19|646|doi:10.3762/bjoc.19.46
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.cc2f7csv
title: CCDC 2241417: Experimental Crystal Structure Determination

description: Related Article: Ekaterina A Lystsova, Maksim V Dmitriev, Andrey N Maslivets, Ekaterina E Khramtsova|2023|Beilstein J.Org.Chem.|19|646|doi:10.3762/bjoc.19.46
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.cc2f7ctw
title: CCDC 2241418: Experimental Crystal Structure Determination

description: Related Article: Ekaterina A Lystsova, Maksim V Dmitriev, Andrey N Maslivets, Ekaterina E Khramtsova|2023|Beilstein J.Org.Chem.|19|646|doi:10.3762/bjoc.19.46
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.cc2f7cvx
title: CCDC 2241419: Experimental Crystal Structure Determination

description: Related Article: Ekaterina A Lystsova, Maksim V Dmitriev, Andrey N Maslivets, Ekaterina E Khramtsova|2023|Beilstein J.Org.Chem.|19|646|doi:10.3762/bjoc.19.46
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.cc2f7cwy
title: CCDC 2241420: Experimental Crystal Structure Determination

description: Related Article: Ekaterina A Lystsova, Maksim V Dmitriev, Andrey N Maslivets, Ekaterina E Khramtsova|2023|Beilstein J.Org.Chem.|19|646|doi:10.3762/bjoc.19.46
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.cc2f7cxz
title: CCDC 2241421: Experimental Crystal Structure Determination

description: Related Article: Ekaterina A Lystsova, Maksim V Dmitriev, Andrey N Maslivets, Ekaterina E Khramtsova|2023|Beilstein J.Org.Chem.|19|646|doi:10.3762/bjoc.19.46
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.cc2f7cy0
title: CCDC 2241422: Experimental Crystal Structure Determination

description: Related Article: Ekaterina A Lystsova, Maksim V Dmitriev, Andrey N Maslivets, Ekaterina E Khramtsova|2023|Beilstein J.Org.Chem.|19|646|doi:10.3762/bjoc.19.46
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.cc2f7cz1
title: CCDC 2241423: Experimental Crystal Structure Determination

description: Related Article: Ekaterina A Lystsova, Maksim V Dmitriev, Andrey N Maslivets, Ekaterina E Khramtsova|2023|Beilstein J.Org.Chem.|19|646|doi:10.3762/bjoc.19.46
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.cc2f7d03
title: CCDC 2241424: Experimental Crystal Structure Determination

description: Related Article: Ekaterina A Lystsova, Maksim V Dmitriev, Andrey N Maslivets, Ekaterina E Khramtsova|2023|Beilstein J.Org.Chem.|19|646|doi:10.3762/bjoc.19.46
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.cc2f7d36
title: CCDC 2241427: Experimental Crystal Structure Determination

description: Related Article: Li Zhou, Liping Li, Sudong Zhang, Xiao-kang Kuang, You-Yun Zhou, Yong Tang|2024|J.Am.Chem.Soc.|146|18823|doi:10.1021/jacs.4c05217
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.cc2f7d69
title: CCDC 2241430: Experimental Crystal Structure Determination

description: Related Article: Shu Wang, Azizah M. Malebari, Thomas F. Greene, Shubhangi Kandwal, Darren Fayne, Seema M. Nathwani, Daniela M. Zisterer, Brendan Twamley, Niamh M. O’Boyle, Mary J. Meegan|2023|Pharmaceuticals|16|1000|doi:10.3390/ph16071000
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.