cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2c79mk
title: CCDC 2181768: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
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.cc23f940
title: CCDC 1949191: Experimental Crystal Structure Determination

description: Related Article: David M. Marolf, James E. Johnstone, Henry A. Touchton, Vladimir N. Nesterov, Cynthia B. Powell, Gregory L. Powell|2022|J.Coord.Chem.|75|1|doi:10.1080/00958972.2022.2145960
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.cc2c7b43
title: CCDC 2181784: Experimental Crystal Structure Determination

description: Related Article: Yuhao Mo, Qiyou Chen, Jinzhao Li, Dong Ye, Yuqiao Zhou, Shunxi Dong, Xiaohua Liu, Xiaoming Feng|2023|ACS Catalysis|13|877|doi:10.1021/acscatal.2c05509
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.cc2c7bhg
title: CCDC 2181795: Experimental Crystal Structure Determination

description: Related Article: David M. Marolf, James E. Johnstone, Henry A. Touchton, Vladimir N. Nesterov, Cynthia B. Powell, Gregory L. Powell|2022|J.Coord.Chem.|75|1|doi:10.1080/00958972.2022.2145960
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.cc2c7bqp
title: CCDC 2181802: Experimental Crystal Structure Determination

description: Related Article: Zhen Zhang, Shusheng Yue, Ruchun Yang, Shengchun Wang, Tianqi Zhang, Li Sun, Aiwen Lei, Hu Cai|2024|Nat.Commun.|15|4186|doi:10.1038/s41467-024-48540-6
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.cc2c7bvt
title: CCDC 2181806: Experimental Crystal Structure Determination

description: Related Article: Jing Zhang, Min Jiang, Chang-Sheng Wang, Kai Guo, Quan-Xin Li, Cheng Ma, Shao-Fei Ni, Gen-Qiang Chen, Yan Zong, Hua Lu, Li-Wen Xu, Xinxin Shao|2022|Nat.Commun.|13|7961|doi:10.1038/s41467-022-35613-7
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.cc2c7rp2
title: CCDC 2182204: Experimental Crystal Structure Determination

description: Related Article: Mohamed M. El-bendary, Abdullah Akhdhar, Tamer S. Saleh|2024|Polyhedron|252|116889|doi:10.1016/j.poly.2024.116889
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.cc2c7c66
title: CCDC 2181817: Experimental Crystal Structure Determination

description: Related Article: Fruzsina Demeter, Attila Bényei, Anikó Borbás, Mihály Herczeg|2023|Synthesis|55|1087|doi:10.1055/s-0042-1751394
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.cc2c7cqq
title: CCDC 2181833: Experimental Crystal Structure Determination

description: Related Article: Ting Chen, Yanbo Mei, Liu Leo Liu, Yufen Zhao, Yile Wu, Douglas W. Stephan|2023|Chem.-Eur.J.|29|e202300264|doi:10.1002/chem.202300264
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.cc2c7dpq
title: CCDC 2181863: Experimental Crystal Structure Determination

description: Related Article: Tao Jiang, Ling-Chan Tian, Chao Huang, Bi-Xue Zhu, Dong-Mei Chen, Chun Zhu|2023|Inorg.Chim.Acta|547|121367|doi:10.1016/j.ica.2022.121367
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.cc2c7dqr
title: CCDC 2181864: Experimental Crystal Structure Determination

description: Related Article: Tao Jiang, Ling-Chan Tian, Chao Huang, Bi-Xue Zhu, Dong-Mei Chen, Chun Zhu|2023|Inorg.Chim.Acta|547|121367|doi:10.1016/j.ica.2022.121367
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.cc2c7drs
title: CCDC 2181865: Experimental Crystal Structure Determination

description: Related Article: Tao Jiang, Ling-Chan Tian, Chao Huang, Bi-Xue Zhu, Dong-Mei Chen, Chun Zhu|2023|Inorg.Chim.Acta|547|121367|doi:10.1016/j.ica.2022.121367
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.cc2c7fkm
title: CCDC 2181890: Experimental Crystal Structure Determination

description: Related Article: G. G. Dvoryantseva, S. V. Lindeman, Yu. T. Struchkov, Yu. N. Sheinker, V. Z. Gorkin, M. D. Mashkovskii, R. G. Glushkov|1985|Khim.-Farm.Zh.|19|822-12|doi:10.1007/BF01148378
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.cc2c7fpr
title: CCDC 2181894: Experimental Crystal Structure Determination

description: Related Article: A. A. Karapetyan, Yu. T. Struchkov, T. V. Timofeeva, V. O. Martirosyan, R. S. Vartanyan, S. A. Vartanyan|1989|Khim.-Farm.Zh.|23|387-5|doi:10.1007/BF00758290
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.cc2c7frt
title: CCDC 2181896: Experimental Crystal Structure Determination

description: Related Article: Anthony Wong, Francis Y.T. Lam, Matthew Hernandez, Jaden Lara, T. Michael Trinh, Rory P. Kelly, Tatsumi Ochiai, Guodong Rao, R. David Britt, Nikolas Kaltsoyannis, Polly L. Arnold|2024|Chem Cat.|4|100964|doi:10.1016/j.checat.2024.100964
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.cc2c7fsv
title: CCDC 2181897: Experimental Crystal Structure Determination

description: Related Article: Anthony Wong, Francis Y.T. Lam, Matthew Hernandez, Jaden Lara, T. Michael Trinh, Rory P. Kelly, Tatsumi Ochiai, Guodong Rao, R. David Britt, Nikolas Kaltsoyannis, Polly L. Arnold|2024|Chem Cat.|4|100964|doi:10.1016/j.checat.2024.100964
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.cc2c7ftw
title: CCDC 2181898: Experimental Crystal Structure Determination

description: Related Article: Anthony Wong, Francis Y.T. Lam, Matthew Hernandez, Jaden Lara, T. Michael Trinh, Rory P. Kelly, Tatsumi Ochiai, Guodong Rao, R. David Britt, Nikolas Kaltsoyannis, Polly L. Arnold|2024|Chem Cat.|4|100964|doi:10.1016/j.checat.2024.100964
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.cc2c7fy0
title: CCDC 2181902: Experimental Crystal Structure Determination

description: Related Article: Wulan Zeng, Daiyao Yue, Xia Wang, Xiangjun Kong|2025|J.Mol.Struct.|1341|142675|doi:10.1016/j.molstruc.2025.142675
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.cc2c7fz1
title: CCDC 2181903: Experimental Crystal Structure Determination

description: Related Article: Chi-Herng Hu, Seoung-Tae Kim, Mu-Hyun Baik, Liviu M. Mirica|2023|J.Am.Chem.Soc.|145|11161|doi:10.1021/jacs.3c01012
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.cc2c7g9d
title: CCDC 2181913: Experimental Crystal Structure Determination

description: Related Article: Mingmin Zhang, Linan Zhang, Mimi Zhu, Kaiyi Qin, Qiuhan Lin|2024|J.Mol.Struct.|1301|137369|doi:10.1016/j.molstruc.2023.137369
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: 10.5281/zenodo.17443802
title: DIMet validation on simulated data

description: This is the output of the code in github :

https://github.com/johaGL/data_simulator

That allows to validate DIMet in simulated data

 

It was performed following this folder structure

simulation-work  ├── data_simulator    # the code  └── output  # this zenodo record
DOI: 10.5281/zenodo.17443803
title: DIMet validation on simulated data

description: This is the output of the code in github :

https://github.com/johaGL/data_simulator

That allows to validate DIMet in simulated data

 

It was performed following this folder structure

simulation-work  ├── data_simulator    # the code  └── output  # this zenodo record
DOI: 10.5517/ccdc.csd.cc2c6jrw
title: CCDC 2181028: Experimental Crystal Structure Determination

description: Related Article: Zhi-Xu Zhang, Xian-Jiang Song, Yi-Rong Li, Xiao-Gang Chen, Yao Zhang, Hui-Peng Lv, Yuan-Yuan Tang, Ren-Gen Xiong, Han-Yue Zhang|2022|Angew.Chem.,Int.Ed.|61||doi:10.1002/anie.202210809
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.cc2c7gdh
title: CCDC 2181916: Experimental Crystal Structure Determination

description: Related Article: Kai Zhang, Mengyao Hao, Tianyun Jin, Yafei Shi, Guoqing Tian, Chenglong Li, Hongwei Ma, Niu Zhang, Quansong Li, Pangkuan Chen|2023|Chem.-Eur.J.|30||doi:10.1002/chem.202302950
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.cc2c7ggk
title: CCDC 2181918: Experimental Crystal Structure Determination

description: Related Article: Jing Tian, Daqian Xu, Wei Sun|2022|Adv.Synth.Catal.|364|3874|doi:10.1002/adsc.202200712
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.cc2c7ghl
title: CCDC 2181919: Experimental Crystal Structure Determination

description: Related Article: Vladimir Viktorovich Sharutin,  Evgenia Sergeevna Mekhanoshina|2025|Yuzhno-Ural'skii Gosudarst. Univ.Vestn. Ser.Khim.|17|133-1|doi:10.14529/chem250112
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.cc2c7gfj
title: CCDC 2181917: Experimental Crystal Structure Determination

description: Related Article: Kai Zhang, Mengyao Hao, Tianyun Jin, Yafei Shi, Guoqing Tian, Chenglong Li, Hongwei Ma, Niu Zhang, Quansong Li, Pangkuan Chen|2023|Chem.-Eur.J.|30||doi:10.1002/chem.202302950
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.cc2c79lj
title: CCDC 2181767: Experimental Crystal Structure Determination

description: Related Article: Tunde Blessed Shonde, Maya Chaaban, He Liu, Oluwadara Joshua Olasupo, Azza Ben‐Akacha, Fabiola G. Gonzalez, Kerri Julevich, Xinsong Lin, J. S. Raaj Vellore Winfred, Luis M. Stand, Mariya Zhuravleva, Biwu Ma|2023|Adv.Mater.|35|2301612|doi:10.1002/adma.202301612
description: Related Article: Biwu Ma, Tunde B. Shonde, Maya Chaaban|2024|U.S.Patents|||
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.cc2c7gz2
title: CCDC 2181934: Experimental Crystal Structure Determination

description: Related Article: Lohith Tumakuru Nagarajappa, Krishna Ravi Singh, Bienfait Kabuyaya Isamura, Koravangala S. Vinay Kumar, Sridhar Mandayam Anandalwar, Maralingadoddi P. Sadashiva|2023|J.Biomol.Struct.Dyn.|41|11122|doi:10.1080/07391102.2022.2159880
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.cc2c7h6b
title: CCDC 2181941: Experimental Crystal Structure Determination

description: Related Article: Xiu-Mei Du, Jun-Wei Ma, Qian-Li Li, Shuang Cheng, Yu Cui, Chun-Lin Ma|2023|Appl.Organomet.Chem.|37|e7016|doi:10.1002/aoc.7016
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.cc2c7h7c
title: CCDC 2181942: Experimental Crystal Structure Determination

description: Related Article: Xiu-Mei Du, Jun-Wei Ma, Qian-Li Li, Shuang Cheng, Yu Cui, Chun-Lin Ma|2023|Appl.Organomet.Chem.|37|e7016|doi:10.1002/aoc.7016
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.cc2c7h8d
title: CCDC 2181943: Experimental Crystal Structure Determination

description: Related Article: Xiu-Mei Du, Jun-Wei Ma, Qian-Li Li, Shuang Cheng, Yu Cui, Chun-Lin Ma|2023|Appl.Organomet.Chem.|37|e7016|doi:10.1002/aoc.7016
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.cc2c7h9f
title: CCDC 2181944: Experimental Crystal Structure Determination

description: Related Article: Xiu-Mei Du, Jun-Wei Ma, Qian-Li Li, Shuang Cheng, Yu Cui, Chun-Lin Ma|2023|Appl.Organomet.Chem.|37|e7016|doi:10.1002/aoc.7016
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.cc2c7hch
title: CCDC 2181946: Experimental Crystal Structure Determination

description: Related Article: Thobias M. Kalenga, Jackson T. Mollel, Joanna Said, Andreas Orthaber, Jas S. Ward, Yoseph Atilaw, Daniel Umereweneza, Monica M. Ndoile, Joan J. E. Munissi, Kari Rissanen, Edward Trybala, Tomas Bergström, Stephen S. Nyandoro, Mate Erdelyi|2022|J.Nat.Prod.|85|2135|doi:10.1021/acs.jnatprod.2c00147
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.cc2c7hdj
title: CCDC 2181947: Experimental Crystal Structure Determination

description: Related Article: Thobias M. Kalenga, Jackson T. Mollel, Joanna Said, Andreas Orthaber, Jas S. Ward, Yoseph Atilaw, Daniel Umereweneza, Monica M. Ndoile, Joan J. E. Munissi, Kari Rissanen, Edward Trybala, Tomas Bergström, Stephen S. Nyandoro, Mate Erdelyi|2022|J.Nat.Prod.|85|2135|doi:10.1021/acs.jnatprod.2c00147
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.cc2c7hpt
title: CCDC 2181956: Experimental Crystal Structure Determination

description: Related Article: Ryo Oshimizu, Naoki Ando, Shigehiro Yamaguchi|2022|Angew.Chem.,Int.Ed.|61|e202209394|doi:10.1002/anie.202209394
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.cc2c7hqv
title: CCDC 2181957: Experimental Crystal Structure Determination

description: Related Article: Ryo Oshimizu, Naoki Ando, Shigehiro Yamaguchi|2022|Angew.Chem.,Int.Ed.|61|e202209394|doi:10.1002/anie.202209394
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.