cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2h1l27
title: CCDC 2295428: Experimental Crystal Structure Determination

description: Related Article: Yan Lei, Qiwen Yang, Zhihua Hu, Shuang Wang|2024|Polyhedron|259|117071|doi:10.1016/j.poly.2024.117071
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.cc2gvlpm
title: CCDC 2289681: Experimental Crystal Structure Determination

description: Related Article: Hossein Farzaneh-Bonab, Rahman Bikas, Nader Noshiranzadeh, Anna Kozakiewicz-Piekarz, Tadeusz Lis|2024|Appl.Organomet.Chem.|38|e7360|doi:10.1002/aoc.7360
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.cc2h1l8f
title: CCDC 2295434: Experimental Crystal Structure Determination

description: Related Article: Eslam M. Abbass, Ali El-Rayyes, Ali Khalil Ali, Ahmed F. El-Farargy, Anna Kozakiewicz-Piekarz, Ramadan M. Ramadan |2024|Scientific Reports|14|18773|doi:10.1038/s41598-024-65282-z
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.cc2h1l9g
title: CCDC 2295435: Experimental Crystal Structure Determination

description: Related Article: Eslam M. Abbass, Ali El-Rayyes, Ali Khalil Ali, Ahmed F. El-Farargy, Anna Kozakiewicz-Piekarz, Ramadan M. Ramadan |2024|Scientific Reports|14|18773|doi:10.1038/s41598-024-65282-z
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.cc2h1lv0
title: CCDC 2295452: Experimental Crystal Structure Determination

description: Related Article: Duygu İnci Özbağcı, Büşra Gültekin, İpek Aydın, Rahmiye Aydın, Ferda Arı, Yunus Zorlu|2024|Appl.Organomet.Chem.|38|e7369|doi:10.1002/aoc.7369
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.cc2h1lw1
title: CCDC 2295453: Experimental Crystal Structure Determination

description: Related Article: Duygu İnci Özbağcı, Büşra Gültekin, İpek Aydın, Rahmiye Aydın, Ferda Arı, Yunus Zorlu|2024|Appl.Organomet.Chem.|38|e7369|doi:10.1002/aoc.7369
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.cc2h1lx2
title: CCDC 2295454: Experimental Crystal Structure Determination

description: Related Article: Arppitha Baby Sainaba, Rupak Saha, Mangili Venkateswarulu, Ennio Zangrando, Partha Sarathi Mukherjee|2024|Inorg.Chem.|63|508|doi:10.1021/acs.inorgchem.3c03370
description: Related Article: Arppitha Baby Sainaba, Rupak Saha, Mangili Venkateswarulu, Ennio Zangrando, Partha Sarathi Mukherjee|2023|Inorg.Chem.|63|508|doi:10.1021/acs.inorgchem.3c03370
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.cc2h1lz4
title: CCDC 2295456: Experimental Crystal Structure Determination

description: Related Article: Riddhi Golwankar, Alexander Ervin, Malgorzata Makos, Emily Mikeska, Vassiliki-Alexandra Glezakou, James Blakemore |2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-qb7cc
description: Related Article: Riddhi R. Golwankar, Alexander C. Ervin, Magorzata Z. Makoś, Emily R. Mikeska, Vassiliki-Alexandra Glezakou, James D. Blakemore|2024|J.Am.Chem.Soc.|146|9597|doi:10.1021/jacs.3c12075
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.cc2h1m06
title: CCDC 2295457: Experimental Crystal Structure Determination

description: Related Article: Riddhi Golwankar, Alexander Ervin, Malgorzata Makos, Emily Mikeska, Vassiliki-Alexandra Glezakou, James Blakemore |2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-qb7cc
description: Related Article: Riddhi R. Golwankar, Alexander C. Ervin, Magorzata Z. Makoś, Emily R. Mikeska, Vassiliki-Alexandra Glezakou, James D. Blakemore|2024|J.Am.Chem.Soc.|146|9597|doi:10.1021/jacs.3c12075
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.cc2h1m17
title: CCDC 2295458: Experimental Crystal Structure Determination

description: Related Article: Riddhi Golwankar, Alexander Ervin, Malgorzata Makos, Emily Mikeska, Vassiliki-Alexandra Glezakou, James Blakemore |2023|ChemRxiv|||doi:10.26434/chemrxiv-2023-qb7cc
description: Related Article: Riddhi R. Golwankar, Alexander C. Ervin, Magorzata Z. Makoś, Emily R. Mikeska, Vassiliki-Alexandra Glezakou, James D. Blakemore|2024|J.Am.Chem.Soc.|146|9597|doi:10.1021/jacs.3c12075
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.cc2h1m28
title: CCDC 2295459: Experimental Crystal Structure Determination

description: Related Article: Guijuan Zheng, Lang Huang, Yuanyuan Feng, Hanqi Zhang, Biao Gao, Xiaomin Ma, Yenan Sun, Adila Abudurexiti, Guangmin Yao|2023|Bioorg.Chem.|142|106928|doi:10.1016/j.bioorg.2023.106928
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.cc2h1m39
title: CCDC 2295460: Experimental Crystal Structure Determination

description: Related Article: Guijuan Zheng, Lang Huang, Yuanyuan Feng, Hanqi Zhang, Biao Gao, Xiaomin Ma, Yenan Sun, Adila Abudurexiti, Guangmin Yao|2023|Bioorg.Chem.|142|106928|doi:10.1016/j.bioorg.2023.106928
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.cc2h1m4b
title: CCDC 2295461: Experimental Crystal Structure Determination

description: Related Article: Guijuan Zheng, Lang Huang, Yuanyuan Feng, Hanqi Zhang, Biao Gao, Xiaomin Ma, Yenan Sun, Adila Abudurexiti, Guangmin Yao|2023|Bioorg.Chem.|142|106928|doi:10.1016/j.bioorg.2023.106928
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.cc2h1m5c
title: CCDC 2295462: Experimental Crystal Structure Determination

description: Related Article: Guijuan Zheng, Lang Huang, Yuanyuan Feng, Hanqi Zhang, Biao Gao, Xiaomin Ma, Yenan Sun, Adila Abudurexiti, Guangmin Yao|2023|Bioorg.Chem.|142|106928|doi:10.1016/j.bioorg.2023.106928
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.cc2h1m6d
title: CCDC 2295463: Experimental Crystal Structure Determination

description: Related Article: Guijuan Zheng, Lang Huang, Yuanyuan Feng, Hanqi Zhang, Biao Gao, Xiaomin Ma, Yenan Sun, Adila Abudurexiti, Guangmin Yao|2023|Bioorg.Chem.|142|106928|doi:10.1016/j.bioorg.2023.106928
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.cc2h1m7f
title: CCDC 2295464: Experimental Crystal Structure Determination

description: Related Article: Guijuan Zheng, Lang Huang, Yuanyuan Feng, Hanqi Zhang, Biao Gao, Xiaomin Ma, Yenan Sun, Adila Abudurexiti, Guangmin Yao|2023|Bioorg.Chem.|142|106928|doi:10.1016/j.bioorg.2023.106928
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.cc2h1m9h
title: CCDC 2295466: Experimental Crystal Structure Determination

description: Related Article: Lin Chen, Tian-Hao Zhu|2024|Adv.Synth.Catal.|366|1388|doi:10.1002/adsc.202301240
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.cc2h1mbj
title: CCDC 2295467: Experimental Crystal Structure Determination

description: Related Article: Lin Chen, Tian-Hao Zhu|2024|Adv.Synth.Catal.|366|1388|doi:10.1002/adsc.202301240
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.cc2h1mjq
title: CCDC 2295473: Experimental Crystal Structure Determination

description: Related Article: Xiqiao Yang, Shuting Dai, Jingbo Sun, Yuanhong Shu, Cheng Liu, Yuan Yue, Liuyang Jin, Jiangbin Zhong, Xinyu Liu, Kaiqi Ye, Ran Lu|2025|Cryst.Growth Des.|25|2330|doi:10.1021/acs.cgd.5c00018
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.cc2h1mkr
title: CCDC 2295474: Experimental Crystal Structure Determination

description: Related Article: Xiqiao Yang, Shuting Dai, Jingbo Sun, Yuanhong Shu, Cheng Liu, Yuan Yue, Liuyang Jin, Jiangbin Zhong, Xinyu Liu, Kaiqi Ye, Ran Lu|2025|Cryst.Growth Des.|25|2330|doi:10.1021/acs.cgd.5c00018
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.cc2h1mls
title: CCDC 2295475: Experimental Crystal Structure Determination

description: Related Article: Xiqiao Yang, Shuting Dai, Jingbo Sun, Yuanhong Shu, Cheng Liu, Yuan Yue, Liuyang Jin, Jiangbin Zhong, Xinyu Liu, Kaiqi Ye, Ran Lu|2025|Cryst.Growth Des.|25|2330|doi:10.1021/acs.cgd.5c00018
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.cc2h1mmt
title: CCDC 2295476: Experimental Crystal Structure Determination

description: Related Article: Xiqiao Yang, Shuting Dai, Jingbo Sun, Yuanhong Shu, Cheng Liu, Yuan Yue, Liuyang Jin, Jiangbin Zhong, Xinyu Liu, Kaiqi Ye, Ran Lu|2025|Cryst.Growth Des.|25|2330|doi:10.1021/acs.cgd.5c00018
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.cc2h1mnv
title: CCDC 2295477: Experimental Crystal Structure Determination

description: Related Article: Xiqiao Yang, Shuting Dai, Jingbo Sun, Yuanhong Shu, Cheng Liu, Yuan Yue, Liuyang Jin, Jiangbin Zhong, Xinyu Liu, Kaiqi Ye, Ran Lu|2025|Cryst.Growth Des.|25|2330|doi:10.1021/acs.cgd.5c00018
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.cc2h1mpw
title: CCDC 2295478: Experimental Crystal Structure Determination

description: Related Article: Xiqiao Yang, Shuting Dai, Jingbo Sun, Yuanhong Shu, Cheng Liu, Yuan Yue, Liuyang Jin, Jiangbin Zhong, Xinyu Liu, Kaiqi Ye, Ran Lu|2025|Cryst.Growth Des.|25|2330|doi:10.1021/acs.cgd.5c00018
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.cc2h1mqx
title: CCDC 2295479: Experimental Crystal Structure Determination

description: Related Article: Xiqiao Yang, Shuting Dai, Jingbo Sun, Yuanhong Shu, Cheng Liu, Yuan Yue, Liuyang Jin, Jiangbin Zhong, Xinyu Liu, Kaiqi Ye, Ran Lu|2025|Cryst.Growth Des.|25|2330|doi:10.1021/acs.cgd.5c00018
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.cc2h1mx3
title: CCDC 2295485: Experimental Crystal Structure Determination

description: Related Article: Chaochao Xie, Qianling Guo, Xiaoxue Wu, Weiping Ye, Guohua Hou|2023|J.Org.Chem.|88|15726|doi:10.1021/acs.joc.3c01723
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.cc2h1n07
title: CCDC 2295488: Experimental Crystal Structure Determination

description: Related Article: Guoqing Lin, Dai Shi, Na Wang, Tong Lu, Yuguang Zhao|2025|Inorg.Chim.Acta|574|122386|doi:10.1016/j.ica.2024.122386
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.cc2h1n29
title: CCDC 2295490: Experimental Crystal Structure Determination

description: Related Article: Jiawen Fang, Ping Li, Longyan Zhang, Xiuzhi Li, Jingyu Zhang, Chaochao Qin, Tushar Debnath, Wei Huang, Runfeng Chen|2023|J.Am.Chem.Soc.|146|961|doi:10.1021/jacs.3c11262
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.cc2h1n3b
title: CCDC 2295491: Experimental Crystal Structure Determination

description: Related Article: Guoqing Lin, Dai Shi, Na Wang, Tong Lu, Yuguang Zhao|2025|Inorg.Chim.Acta|574|122386|doi:10.1016/j.ica.2024.122386
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.cc2h1nbk
title: CCDC 2295498: Experimental Crystal Structure Determination

description: Related Article: Shun Liu, Qidong Zhang, Ji Ma, Xiankuan Huo, Lingbo Ji, Baojiang He, Guobi Chai, Qingzhao Shi, Jian Mao, Hui Xi, Wu Fan, Suhua Li|2024|Org.Lett.|26|5306|doi:10.1021/acs.orglett.4c01589
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.cc2h1njr
title: CCDC 2295504: Experimental Crystal Structure Determination

description: Related Article: Daljeet Singh, Ruchika Sharma, Anil Nikam, Jagannath Jadhav, Sagar Sankpal, Saminathan Murugavel, Rajni Kant|2024|J.Chem.Cryst.|54|321|doi:10.1007/s10870-024-01027-0
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.cc2h1nv2
title: CCDC 2295514: Experimental Crystal Structure Determination

description: Related Article: Hanzhang Chen, Duanliang Wang, Ruoxian Hou, Defu Sun, Lingqiang Meng, Kui Wu, Jiyang Wang,  Chuanying Shen|2024|ACS Applied Materials and Interfaces|16|10325|doi:10.1021/acsami.3c17012
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.cc2h1nx4
title: CCDC 2295516: Experimental Crystal Structure Determination

description: Related Article: Aranya Das, Sk Ajarul, Sudipto Debnath, Poulami Hota, Dilip K. Maiti|2023|J.Org.Chem.|88|15073|doi:10.1021/acs.joc.3c01525
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.cc2h1p5f
title: CCDC 2295524: Experimental Crystal Structure Determination

description: Related Article: Hanzhang Chen, Duanliang Wang, Ruoxian Hou, Defu Sun, Lingqiang Meng, Kui Wu, Jiyang Wang,  Chuanying Shen|2024|ACS Applied Materials and Interfaces|16|10325|doi:10.1021/acsami.3c17012
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.cc2h1sx8
title: CCDC 2295640: Experimental Crystal Structure Determination

description: Related Article: Zheng-Hua Zhao, Qin Zhang, Yu-Feng Liu, Jin-Zhong Gu, Zi-Fa Shi|2023|Crystals|13|1681|doi:10.3390/cryst13121681
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.