cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2gv6yh
title: CCDC 2289317: Experimental Crystal Structure Determination

description: Related Article: Andrey Yu. Chernenko, Victoria A. Baydikova, Vadim V. Kutyrev, Alexander V. Astakhov, Mikhail E. Minyaev, Victor M. Chernyshev, Valentine P. Ananikov|2024|ChemCatChem|16|e202301471|doi:10.1002/cctc.202301471
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.cc2699vp
title: CCDC 2034742: Experimental Crystal Structure Determination

description: Related Article: Zheng Wan, Man Shi, Yanqing Gong, Massimo Lucci, Jinjin Li, Jiahai Zhou, Xiao-Liang Yang, Moreno Lelli, Xiao He, Jiafei Mao|2024|Molecules|29|376|doi:10.3390/molecules29020376
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.cc2gv79w
title: CCDC 2289328: Experimental Crystal Structure Determination

description: Related Article: Yunshan Li|2024|CSD Communication|||
description: Related Article: Yunshan Li, Jingyang Zhang, Yi Chen, Jiahua Pang, Yuejie Chen, Yefeng Tang|2025|Angew.Chem.,Int.Ed.|64|e202414985|doi:10.1002/anie.202414985
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.cc2gv7vf
title: CSD 2289345: Experimental Crystal Structure Determination

description: Related Article: Guangsheng Xu, Huimin Li, Jian Han, Xueling Hou, Zhihua Yang, Shilie Pan|2023|Inorg.Chem.|63|852|doi:10.1021/acs.inorgchem.3c03864
description: Related Article: Guangsheng Xu, Huimin Li, Jian Han, Xueling Hou, Zhihua Yang, Shilie Pan|2024|Inorg.Chem.|63|852|doi:10.1021/acs.inorgchem.3c03864
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2gv7yj
title: CCDC 2289348: Experimental Crystal Structure Determination

description: Related Article: Jianhong Huang|2025|CSD Communication|||
description: Related Article: Jianhong Huang,  Jiahang Li,  Shenli Liu,  Wanyao Zhao,  Yan Xia,  Xiaoyan Liu,  Kuizhan Shao,  Wenliang Li,  Haiyan Yuan,  Jinbo Zhao|2025|Nat.Commun.|16|4019|doi:10.1038/s41467-025-59048-y
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.cc2gv84r
title: CCDC 2289354: Experimental Crystal Structure Determination

description: Related Article: Ekaterina Kudryavtseva, Andrey Serykh, Bogdan Ugrak, Tatyana Dutova, Darina Nasyrova, Dmitrii Aleshin, Nikolay Efimov, Pavel Dorovatovskii, Artem Bogomyakov, Sergey Fokin, Galina Romanenko, Anna Sergeeva, Evgeny Tretyakov|2023|Crystals|13|1655|doi:10.3390/cryst13121655
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.cc2gv85s
title: CCDC 2289355: Experimental Crystal Structure Determination

description: Related Article: Ekaterina Kudryavtseva, Andrey Serykh, Bogdan Ugrak, Tatyana Dutova, Darina Nasyrova, Dmitrii Aleshin, Nikolay Efimov, Pavel Dorovatovskii, Artem Bogomyakov, Sergey Fokin, Galina Romanenko, Anna Sergeeva, Evgeny Tretyakov|2023|Crystals|13|1655|doi:10.3390/cryst13121655
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.cc2gv87v
title: CCDC 2289357: Experimental Crystal Structure Determination

description: Related Article: Ekaterina Kudryavtseva, Andrey Serykh, Bogdan Ugrak, Tatyana Dutova, Darina Nasyrova, Dmitrii Aleshin, Nikolay Efimov, Pavel Dorovatovskii, Artem Bogomyakov, Sergey Fokin, Galina Romanenko, Anna Sergeeva, Evgeny Tretyakov|2023|Crystals|13|1655|doi:10.3390/cryst13121655
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.cc2gv8f1
title: CCDC 2289363: Experimental Crystal Structure Determination

description: Related Article: Andrew J. King, Jiashu Wang, Tianchang Liu, Adharsh Raghavan, Neil C. Tomson, Aleksandr V. Zhukhovitskiy|2023|ACS Polym. Au|3|475|doi:10.1021/acspolymersau.3c00022
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.cc2gv8g2
title: CCDC 2289364: Experimental Crystal Structure Determination

description: Related Article: Andrew J. King, Jiashu Wang, Tianchang Liu, Adharsh Raghavan, Neil C. Tomson, Aleksandr V. Zhukhovitskiy|2023|ACS Polym. Au|3|475|doi:10.1021/acspolymersau.3c00022
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.cc2gv8h3
title: CCDC 2289365: Experimental Crystal Structure Determination

description: Related Article: Andrew J. King, Jiashu Wang, Tianchang Liu, Adharsh Raghavan, Neil C. Tomson, Aleksandr V. Zhukhovitskiy|2023|ACS Polym. Au|3|475|doi:10.1021/acspolymersau.3c00022
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.cc2gv8j4
title: CCDC 2289366: Experimental Crystal Structure Determination

description: Related Article: Andrew J. King, Jiashu Wang, Tianchang Liu, Adharsh Raghavan, Neil C. Tomson, Aleksandr V. Zhukhovitskiy|2023|ACS Polym. Au|3|475|doi:10.1021/acspolymersau.3c00022
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.cc2gv8qb
title: CCDC 2289372: Experimental Crystal Structure Determination

description: Related Article: Andrew J. King, Jiashu Wang, Tianchang Liu, Adharsh Raghavan, Neil C. Tomson, Aleksandr V. Zhukhovitskiy|2023|ACS Polym. Au|3|475|doi:10.1021/acspolymersau.3c00022
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.cc2gv8rc
title: CCDC 2289373: Experimental Crystal Structure Determination

description: Related Article: Andrew J. King, Jiashu Wang, Tianchang Liu, Adharsh Raghavan, Neil C. Tomson, Aleksandr V. Zhukhovitskiy|2023|ACS Polym. Au|3|475|doi:10.1021/acspolymersau.3c00022
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: 10.25505/fiz.icsd.cc2fy3l3
title: CSD 2262305: Experimental Crystal Structure Determination

description: Related Article: Yiqing Sun, Qiaolin Lang, Guangying Fu, Haonuan Zhao, Eddy Dib, Xiaolong Liu, Xiaobo Yang, Peng Lu, Bing Yu, Valentin Valtchev|2024|Microporous and Mesoporous Materials|363|112839|doi:10.1016/j.micromeso.2023.112839
description: Related Article: Yiqing Sun, Qiaolin Lang, Guangying Fu, Haonuan Zhao, Eddy Dib, Xiaolong Liu, Xiaobo Yang, Peng Lu, Bing Yu, Valentin Valtchev|2024|Microporous and Mesoporous Materials|363|112839|doi:10.1016/j.micromeso.2023.112839
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2gv8zl
title: CCDC 2289380: Experimental Crystal Structure Determination

description: Related Article: Qiliang Luo, Tao Mao, Yao Luo, Yuxin Zhang, Fei Wang, Shunxi Dong, Xiaoming Feng|2024|Org.Lett.|26|6402|doi:10.1021/acs.orglett.4c02173
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.cc2gv95t
title: CCDC 2289386: Experimental Crystal Structure Determination

description: Related Article: Yihang Hou, Pengpeng Yang, Jinqiu Fu, Yuzhong Shi, Rongxi Guo, Mengyang Cai, Chiyi Wang, Jingjing Zhao, Hanjie Ying, Keke Zhang|2024|Cryst.Growth Des.|24|1465|doi:10.1021/acs.cgd.3c01421
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.cc2gv96v
title: CCDC 2289387: Experimental Crystal Structure Determination

description: Related Article: Yihang Hou, Pengpeng Yang, Jinqiu Fu, Yuzhong Shi, Rongxi Guo, Mengyang Cai, Chiyi Wang, Jingjing Zhao, Hanjie Ying, Keke Zhang|2024|Cryst.Growth Des.|24|1465|doi:10.1021/acs.cgd.3c01421
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.cc2gv97w
title: CCDC 2289388: Experimental Crystal Structure Determination

description: Related Article: Yihang Hou, Pengpeng Yang, Jinqiu Fu, Yuzhong Shi, Rongxi Guo, Mengyang Cai, Chiyi Wang, Jingjing Zhao, Hanjie Ying, Keke Zhang|2024|Cryst.Growth Des.|24|1465|doi:10.1021/acs.cgd.3c01421
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.cc2gv98x
title: CCDC 2289389: Experimental Crystal Structure Determination

description: Related Article: Yihang Hou, Pengpeng Yang, Jinqiu Fu, Yuzhong Shi, Rongxi Guo, Mengyang Cai, Chiyi Wang, Jingjing Zhao, Hanjie Ying, Keke Zhang|2024|Cryst.Growth Des.|24|1465|doi:10.1021/acs.cgd.3c01421
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.cc2gv99y
title: CCDC 2289390: Experimental Crystal Structure Determination

description: Related Article: Yihang Hou, Pengpeng Yang, Jinqiu Fu, Yuzhong Shi, Rongxi Guo, Mengyang Cai, Chiyi Wang, Jingjing Zhao, Hanjie Ying, Keke Zhang|2024|Cryst.Growth Des.|24|1465|doi:10.1021/acs.cgd.3c01421
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.cc2g6rct
title: CCDC 2270606: Experimental Crystal Structure Determination

description: Related Article: Masnun Naher, Chuyi Su, Jeffrey R. Harmer, Craig M. Williams, Paul V. Bernhardt|2023|Inorg.Chem.|62|15575|doi:10.1021/acs.inorgchem.3c02106
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.cc2gvc4v
title: CCDC 2289447: Experimental Crystal Structure Determination

description: Related Article: Yonglei Zhou, Liping Qiu, Jian Li, Weilong Xie|2023|J.Am.Chem.Soc.|145|28146|doi:10.1021/jacs.3c10628
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.cc2gv9pb
title: CCDC 2289402: Experimental Crystal Structure Determination

description: Related Article: Yuan Lu, Shan-Shan Wang, Meng-Ya Li, Rong Liu, Meng-Fan Zhu, Liang-Mei Yang, Feng-Yang Wang, Ke-Bin Huang, Hong Liang|2024|Acta Pharm.Sin.B.|15|424|doi:10.1016/j.apsb.2024.06.017
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.cc2gv9tg
title: CCDC 2289406: Experimental Crystal Structure Determination

description: Related Article: Zhao-Jing Chen,  Han-Gao Yang,  Wen-Peng Zhu,  Chun-Mei Xue,  Hong-Mei Zhang,  Yu-Ting Peng,  Da-Hong Li,  Hui-Ming Hua|2024|J.Asian Nat.Prod.Res.||1|doi:10.1080/10286020.2024.2317826
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.cc2gvb1q
title: CCDC 2289413: Experimental Crystal Structure Determination

description: Related Article: Yasuyuki Okumura, Eisuke Sato, Koichi Mitsudo, Seiji Suga|2023|Electrochemistry|91|112007|doi:10.5796/electrochemistry.23-67078
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.cc2gvb5v
title: CCDC 2289417: Experimental Crystal Structure Determination

description: Related Article: Ya-Kui Sun, Jin-Bao Qiao, Yu-Meng Xin, Qin Zhou, Zhi-Hua Ma, Hui Shao, Yu-Ming Zhao|2023|Angew.Chem.,Int.Ed.|62||doi:10.1002/anie.202310917
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.cc2gvbg4
title: CCDC 2289426: Experimental Crystal Structure Determination

description: Related Article: Xiaodong Tang, Ming-Yue He, Ran Guo, Hao-Nan Liu, Jing Nie, Ilan Marek, Jun-An Ma, Fa-Guang Zhang|2024|CCS Chem.|6|2825|doi:10.31635/ccschem.024.202403849
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.cc2gvbh5
title: CCDC 2289427: Experimental Crystal Structure Determination

description: Related Article: Xiaodong Tang, Ming-Yue He, Ran Guo, Hao-Nan Liu, Jing Nie, Ilan Marek, Jun-An Ma, Fa-Guang Zhang|2024|CCS Chem.|6|2825|doi:10.31635/ccschem.024.202403849
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.cc2gvbj6
title: CCDC 2289428: Experimental Crystal Structure Determination

description: Related Article: Ning Tan, Wen-Gen Chen, Pengcheng Wu, Zhao-Xi Wang|2023|Z.Anorg.Allg.Chem.|649|e202300214|doi:10.1002/zaac.202300214
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.cc2gvbk7
title: CCDC 2289429: Experimental Crystal Structure Determination

description: Related Article: Zhi-Min Yan, Lin Qi, Hui-Jie Du, Zi-Qiang Zhao, Jia-Li Liu, Yi-Chen Dong, Wei Li, Li-Jing Wang|2023|Org.Lett.|25|7051|doi:10.1021/acs.orglett.3c02727
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.cc2gvc5w
title: CCDC 2289448: Experimental Crystal Structure Determination

description: Related Article: Zi-Ang Zhang,  Jun-Xiang Li,  Sen-Bao Lu,  Peng Li|2023|Z.Kristallogr.-New Cryst.Struct.|238|1185|doi:10.1515/ncrs-2023-0388
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.cc2gvc7y
title: CCDC 2289450: Experimental Crystal Structure Determination

description: Related Article: Cong Ma, Ye-Xia Li, Wen-long Duan, Lei Zhang, Jian Luan|2024|Chem.Eng.Sci.|289|119884|doi:10.1016/j.ces.2024.119884
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.cc2gvc8z
title: CCDC 2289451: Experimental Crystal Structure Determination

description: Related Article: Cong Ma, Ye-Xia Li, Wen-long Duan, Lei Zhang, Jian Luan|2024|Chem.Eng.Sci.|289|119884|doi:10.1016/j.ces.2024.119884
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.cc2gvbqd
title: CCDC 2289434: Experimental Crystal Structure Determination

description: Related Article: Zhong-Xue Long, Hui Yang, Xiao-Yu Dai, Shan-Shan Liu|2024|J.Mol.Struct.|1307|137943|doi:10.1016/j.molstruc.2024.137943
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.