cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2g233s
title: CCDC 2266134: Experimental Crystal Structure Determination

description: Related Article: Tania Medina-Gil, Anna Sadurní, L. Anders Hammarback, Antonio M. Echavarren|2023|ACS Catalysis|13|10751|doi:10.1021/acscatal.3c02461
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.cc2g234t
title: CCDC 2266135: Experimental Crystal Structure Determination

description: Related Article: Tania Medina-Gil, Anna Sadurní, L. Anders Hammarback, Antonio M. Echavarren|2023|ACS Catalysis|13|10751|doi:10.1021/acscatal.3c02461
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.cc2g242s
title: CCDC 2266164: Experimental Crystal Structure Determination

description: Related Article: Mahiro Nakabayashi, Takumi Matsuo, Shotaro Hayashi|2023|Chem.-Eur.J.|29||doi:10.1002/chem.202302351
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.cc2g0h88
title: CCDC 2264589: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
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.cc2g243t
title: CCDC 2266165: Experimental Crystal Structure Determination

description: Related Article: Yan-Ni Wu, Dan Su, Jia Yang, Ying Yi, An-Dong Wang, Min Yang, Jian-Lin Li, Bo-Yi Fan, Guang-Tong Chen, Wen-Li Wang, Bai Ling|2023|Molecules|28|7943|doi:10.3390/molecules28247943
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.cc2g0h99
title: CCDC 2264590: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
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.cc2g0hbb
title: CCDC 2264591: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
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.cc2g0hgg
title: CCDC 2264595: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
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.cc2g0hhh
title: CCDC 2264596: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
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.cc2g0hjj
title: CCDC 2264597: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
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.cc2g0hll
title: CCDC 2264599: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
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.cc2g0hqq
title: CCDC 2264603: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
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.cc2g0hrr
title: CCDC 2264604: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
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.cc2g0hvv
title: CCDC 2264607: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
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.cc2g0hww
title: CCDC 2264608: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
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.cc2g0h77
title: CCDC 2264588: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
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.cc2g0hxx
title: CCDC 2264609: Experimental Crystal Structure Determination

description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
description: Related Article: Qingde Zhuo, Jimin Yang, Xiaoxi Zhou, Takanori Shima, Yi Luo, Zhaomin Hou|2023|J.Am.Chem.Soc.|145|22803|doi:10.1021/jacs.3c08715
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.cc2g24f4
title: CCDC 2266175: Experimental Crystal Structure Determination

description: Related Article: Shuichi Suzuki, Toshihiro Sakai, Sota Takagi, Takeshi Naota|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202308570
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.cc2g24g5
title: CCDC 2266176: Experimental Crystal Structure Determination

description: Related Article: Shuichi Suzuki, Toshihiro Sakai, Sota Takagi, Takeshi Naota|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202308570
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.cc2g24h6
title: CCDC 2266177: Experimental Crystal Structure Determination

description: Related Article: Shuichi Suzuki, Toshihiro Sakai, Sota Takagi, Takeshi Naota|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202308570
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.cc2g24j7
title: CCDC 2266178: Experimental Crystal Structure Determination

description: Related Article: Shuichi Suzuki, Toshihiro Sakai, Sota Takagi, Takeshi Naota|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202308570
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.cc2g24nc
title: CCDC 2266182: Experimental Crystal Structure Determination

description: Related Article: Annisa Indah Reza, Kento Iwai, Nagatoshi Nishiwaki|2023|Molecules|28|5343|doi:10.3390/molecules28145343
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.cc2g24pd
title: CCDC 2266183: Experimental Crystal Structure Determination

description: Related Article: Annisa Indah Reza, Kento Iwai, Nagatoshi Nishiwaki|2023|Molecules|28|5343|doi:10.3390/molecules28145343
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.cc2g24qf
title: CCDC 2266184: Experimental Crystal Structure Determination

description: Related Article: Annisa Indah Reza, Kento Iwai, Nagatoshi Nishiwaki|2023|Molecules|28|5343|doi:10.3390/molecules28145343
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.cc2g24rg
title: CCDC 2266185: Experimental Crystal Structure Determination

description: Related Article: Annisa Indah Reza, Kento Iwai, Nagatoshi Nishiwaki|2023|Molecules|28|5343|doi:10.3390/molecules28145343
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.cc2g24wl
title: CCDC 2266189: Experimental Crystal Structure Determination

description: Related Article: Xiaoke Zhang, Jinding Wei, Minghong Zhu, Dezhi Yang, Yang Pan, Huawu Shao, Chaoyong Wang|2023|Adv.Synth.Catal.|365|3996|doi:10.1002/adsc.202300583
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.cc2g250r
title: CCDC 2266193: Experimental Crystal Structure Determination

description: Related Article: Dimitrios Glykos, John C. Plakatouras, Gerasimos Malandrinos|2023|Molbank|2023|M1675|doi:10.3390/M1675
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.cc2g252t
title: CCDC 2266195: Experimental Crystal Structure Determination

description: Related Article: Lin Dou, Li Tong, Chen-Yin Ma, Wen-Kui Dong, Yu-Jie Ding|2023|J.Mol.Struct.|1292|136162|doi:10.1016/j.molstruc.2023.136162
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.cc2g2580
title: CCDC 2266201: Experimental Crystal Structure Determination

description: Related Article: Matthias Rohmer, Stefan G. Ebbinghaus, Karsten Busse, Julian Radicke, Jörg Kressler, Wolfgang H. Binder|2023|Chem.-Eur.J.|29||doi:10.1002/chem.202302585
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.cc2g25b2
title: CCDC 2266203: Experimental Crystal Structure Determination

description: Related Article: Kalpana Chintakrinda, Nagaraju Narayanam, Guang-Hui Chen, Jian Zhang, Lei Zhang|2023|Chin.J.Chem.|41|3605|doi:10.1002/cjoc.202300433
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.cc2g25c3
title: CCDC 2266204: Experimental Crystal Structure Determination

description: Related Article: Kalpana Chintakrinda, Nagaraju Narayanam, Guang-Hui Chen, Jian Zhang, Lei Zhang|2023|Chin.J.Chem.|41|3605|doi:10.1002/cjoc.202300433
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.cc2g25f5
title: CCDC 2266206: Experimental Crystal Structure Determination

description: Related Article: Duan Lingfei|2023|CSD Communication|||
description: Related Article: Lu Wen, Jia Ding, Lingfei Duan, Shun Wang, Qing An, Hexiang Wang, Zhiwei Zuo|2023|Science|382|458|doi:10.1126/science.adj0040
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.cc2g25nd
title: CCDC 2266213: Experimental Crystal Structure Determination

description: Related Article: Yazdanbakhsh Lotfi Nosood, Ahmad Takallou, Mohammad Reza Hosseini, Sulaiman AlShidhani, Muhammad U. Anwar, Ahmed Al-Harrasi|2024|Chem. Sel.|9|e202304288|doi:10.1002/slct.202304288
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.cc2g25pf
title: CCDC 2266214: Experimental Crystal Structure Determination

description: Related Article: Dan-Bi Sung, Jong Seok Lee|2023|Org.Lett.|25|7110|doi:10.1021/acs.orglett.3c02536
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.cc2g25qg
title: CCDC 2266215: Experimental Crystal Structure Determination

description: Related Article: Dan-Bi Sung, Jong Seok Lee|2023|Org.Lett.|25|7110|doi:10.1021/acs.orglett.3c02536
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.