cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc221ksh
title: CCDC 1908136: Experimental Crystal Structure Determination

description: Related Article: Lucas Silva Franco, Marina Amaral Alves, Carlos Mauricio R. Sant’Anna, Isadora Tairinne de Sena Bastos, Regina Cely Rodrigues Barroso, Fanny Nascimento Costa, Fabio Furlan Ferreira, Carlos A. M. Fraga, Eliezer J. Barreiro, Lídia Moreira Lima, Daniel A. Rodrigues, Pedro de Sena M. Pinheiro|2025|ACS Omega|10|17993|doi:10.1021/acsomega.5c01289
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.cc221ktj
title: CCDC 1908137: Experimental Crystal Structure Determination

description: Related Article: Lucas Silva Franco, Marina Amaral Alves, Carlos Mauricio R. Sant’Anna, Isadora Tairinne de Sena Bastos, Regina Cely Rodrigues Barroso, Fanny Nascimento Costa, Fabio Furlan Ferreira, Carlos A. M. Fraga, Eliezer J. Barreiro, Lídia Moreira Lima, Daniel A. Rodrigues, Pedro de Sena M. Pinheiro|2025|ACS Omega|10|17993|doi:10.1021/acsomega.5c01289
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.cc221lk9
title: CSD 1908160: Experimental Crystal Structure Determination

description: Related Article: Oleg N. Shishilov, Ivan M. Kumanyaev, Nailya S. Akhmadullina, Andrei V. Churakov, Irina A. Garbuzova, Vitaly R. Flid|2015|Inorg.Chem.Commun.|58|16|doi:10.1016/j.inoche.2015.05.018
description: Related Article: Zhang-Tu Tang, Jin-Ke Bao, Zhen Wang, Hua Bai, Hao Jiang, Yi Liu, Hui-Fei Zhai, Chun-Mu Feng, Zhu-An Xu, Guang-Han Cao|2015|Sci. China Mater.|58|16|doi:10.1007/s40843-015-0021-x
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.cc221llb
title: CCDC 1908161: Experimental Crystal Structure Determination

description: Related Article: Yuan Chen, Zhaoyuan Yu, Zhiyu Jiang, Jian-Ping Tan, Jia-Hong Wu, Yu Lan, Xiaoyu Ren, Tianli Wang|2021|ACS Catalysis|11|14168|doi:10.1021/acscatal.1c03149
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.cc20qbkn
title: CCDC 1868511: Experimental Crystal Structure Determination

description: Related Article: Xia Wei, Chan Feng, Xing-Xin Mao, Xiao-Jun Huang, Hai-Bin Luo, Xin Yu, Yi-Jia Cheng, Li Rong, Xiao-Hui Li, Cui-Xian Zhang|2018|CSD Communication|||
description: Related Article: Xia Wei,  Chan Feng,  Xiao‐Hui Li,  Xing‐Xin Mao,  Hai‐Bin Luo,  Dong‐Mei Zhang,  Li Rong,  Zhen‐Yu Xie,  Xin Yu,  Jie Li,  Wen‐Cai Ye,  Xiao‐Jun Huang,  Cui‐Xian Zhang|2019|Chem.Biodiversity|16||doi:10.1002/cbdv.201900052
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.cc221lvl
title: CCDC 1908169: Experimental Crystal Structure Determination

description: Related Article: Christopher Jones, Matthew Asay, Lee Joon Kim, Jack Kleinsasser, Ambarneil Saha, Tyler J. Fulton, Kevin Berkley, Duilio Cascio, Andrey Malyutin, Matthew Conley, Brian M. Stoltz, Vincent LaVallo, Jose A. Rodriguez, Hosea Nelson|2019|ChemRxiv|||doi:10.26434/chemrxiv.7940525.v2
description: Related Article: Christopher G. Jones, Matthew Asay, Lee Joon Kim, Jack F. Kleinsasser, Ambarneil Saha, Tyler J. Fulton, Kevin R. Berkley, Duilio Cascio, Andrey G. Malyutin, Matthew P. Conley, Brian M. Stoltz, Vincent Lavallo, José A. Rodríguez, Hosea M. Nelson|2019|ACS Cent.Sci.|5|1507|doi:10.1021/acscentsci.9b00403
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.cc221lxn
title: CCDC 1908171: Experimental Crystal Structure Determination

description: Related Article: Christopher Jones, Matthew Asay, Lee Joon Kim, Jack Kleinsasser, Ambarneil Saha, Tyler J. Fulton, Kevin Berkley, Duilio Cascio, Andrey Malyutin, Matthew Conley, Brian M. Stoltz, Vincent LaVallo, Jose A. Rodriguez, Hosea Nelson|2019|ChemRxiv|||doi:10.26434/chemrxiv.7940525.v2
description: Related Article: Christopher G. Jones, Matthew Asay, Lee Joon Kim, Jack F. Kleinsasser, Ambarneil Saha, Tyler J. Fulton, Kevin R. Berkley, Duilio Cascio, Andrey G. Malyutin, Matthew P. Conley, Brian M. Stoltz, Vincent Lavallo, José A. Rodríguez, Hosea M. Nelson|2019|ACS Cent.Sci.|5|1507|doi:10.1021/acscentsci.9b00403
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.cc221m70
title: CCDC 1908181: Experimental Crystal Structure Determination

description: Related Article: Jian Su, Wen He, Xiao-Min Li, Lei Sun, Hai-Ying Wang, Ya-Qian Lan, Mengning Ding, Jing-Lin Zuo|2020|Matter|2|711|doi:10.1016/j.matt.2019.12.018
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.cc221m81
title: CCDC 1908182: Experimental Crystal Structure Determination

description: Related Article: Jian Su, Wen He, Xiao-Min Li, Lei Sun, Hai-Ying Wang, Ya-Qian Lan, Mengning Ding, Jing-Lin Zuo|2020|Matter|2|711|doi:10.1016/j.matt.2019.12.018
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.cc21q2d8
title: CCDC 1898049: Experimental Crystal Structure Determination

description: Related Article: Fabian K. Kessler,  Wolfgang Schnick|2019|Z.Anorg.Allg.Chem.|645|848|doi:10.1002/zaac.201900042
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.cc221mkb
title: CCDC 1908191: Experimental Crystal Structure Determination

description: Related Article: Yuki Ohata, Hajime Kamebuchi, Keisuke Watanabe, Takaya Kouchi, You Suzuki, Taku Imaizumi, Tomoaki Sugaya, Motohiro Mizuno, Makoto Tadokoro|2019|Chem. Sel.|4|6627|doi:10.1002/slct.201901733
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: 10.15468/dl.42xxka
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
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 "and" : [
 "TaxonKey is one of (Fungi)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
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 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0055736-251009101135966/datasets/export for details.
DOI: 10.5517/ccdc.csd.cc221nb4
title: CCDC 1908215: Experimental Crystal Structure Determination

description: Related Article: Robin M Bär, Gregor Heinrich, Martin Nieger, Olaf Fuhr, Stefan Bräse|2019|Beilstein J.Org.Chem.|15|1172|doi:10.3762/bjoc.15.114
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.cc221njb
title: CCDC 1908221: Experimental Crystal Structure Determination

description: Related Article: Murugesan Sudharsan, Krishnan Thirumoorthy, Munirathinam Nethaji, Devarajan Suresh|2019|Chem. Sel.|4|9253|doi:10.1002/slct.201902137
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.cc221nkc
title: CCDC 1908222: Experimental Crystal Structure Determination

description: Related Article: Murugesan Sudharsan, Krishnan Thirumoorthy, Munirathinam Nethaji, Devarajan Suresh|2019|Chem. Sel.|4|9253|doi:10.1002/slct.201902137
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.cc221nld
title: CCDC 1908223: Experimental Crystal Structure Determination

description: Related Article: I.A.Lutsenko, Yu.V.Nelyubina, P.V.Primakov, T.M.Ivanova, K.I.Maslakov, A.V.Khoroshilov, M.A.Kiskin, A.A.Sidorov, I.L.Eremenko|2019|Koord.Khim.|45|759|doi:10.1134/S1070328419110046
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.cc221nmf
title: CCDC 1908224: Experimental Crystal Structure Determination

description: Related Article: I.A.Lutsenko, Yu.V.Nelyubina, P.V.Primakov, T.M.Ivanova, K.I.Maslakov, A.V.Khoroshilov, M.A.Kiskin, A.A.Sidorov, I.L.Eremenko|2019|Koord.Khim.|45|759|doi:10.1134/S1070328419110046
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.cc221nng
title: CCDC 1908225: Experimental Crystal Structure Determination

description: Related Article: Wen-Tong Chen|2020|Inorg.Nano-Metal Chem.|50|327|doi:10.1080/24701556.2020.1711774
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.cc20xclx
title: CCDC 1874309: Experimental Crystal Structure Determination

description: Related Article: H.Zhao, X.P.Tan, Q.A.Peng, C.Z.Shi, Y.F.Zhao, Y.M.Cui|2021|Koord.Khim.|47|58|doi:10.1134/S107032842011010X
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.cc221nvn
title: CCDC 1908231: Experimental Crystal Structure Determination

description: Related Article: Wei-Sheng Lin,  Jian-Gen Huang,  Yun-Xiang Wen,  Hui Luo,  Wen-Tong Chen|2020|Jiegou Huaxue|39|747|doi:10.14102/j.cnki.0254-5861.2011-2486
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.cc221nwp
title: CCDC 1908232: Experimental Crystal Structure Determination

description: Related Article: Julien Daubignard, Martin Lutz, Remko J. Detz, Bas de Bruin, Joost N. H. Reek|2019|ACS Catalysis|9|7535|doi:10.1021/acscatal.9b01809
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.cc221nxq
title: CCDC 1908233: Experimental Crystal Structure Determination

description: Related Article: Julien Daubignard, Martin Lutz, Remko J. Detz, Bas de Bruin, Joost N. H. Reek|2019|ACS Catalysis|9|7535|doi:10.1021/acscatal.9b01809
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.cc221nyr
title: CCDC 1908234: Experimental Crystal Structure Determination

description: Related Article: Julien Daubignard, Martin Lutz, Remko J. Detz, Bas de Bruin, Joost N. H. Reek|2019|ACS Catalysis|9|7535|doi:10.1021/acscatal.9b01809
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.cc221nzs
title: CCDC 1908235: Experimental Crystal Structure Determination

description: Related Article: Xiaolin Xu,  Xingyue Chen, Runmei Yang, Zesheng Li, Houguang Zhou, Yanbing Bai, Meng Yu, Biao Li, Gang Ding|2020|Scientific Reports|10|9564|doi:10.1038/s41598-020-66552-2
description: Related Article: Xiaolin Xu,  Zesheng Li,  Runmei Yang,  Houguang Zhou,  Yanbin Bai,  Meng Yu,  Gang Ding,  Biao Li|2019|Molecules|24|3071|doi:10.3390/molecules24173071
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.cc221p2x
title: CCDC 1908238: Experimental Crystal Structure Determination

description: Related Article: Atrayee Banaspati, Dhananjay Das, Chandan J. Choudhury, Arnab Bhattacharyya, Tridib K. Goswami|2019|J.Inorg.Biochem.|191|60|doi:10.1016/j.jinorgbio.2018.11.005
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.cc221pf8
title: CSD 1908249: Experimental Crystal Structure Determination

description: Related Article: Viktoria Falkowski,  Alexander Zeugner,  Anna Isaeva,  Klaus Wurst,  Michael Ruck,  Hubert Huppertz|2019|Z.Anorg.Allg.Chem.|645|919|doi:10.1002/zaac.201900103
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: 10.25505/fiz.icsd.cc221pg9
title: CSD 1908250: Experimental Crystal Structure Determination

description: Related Article: Viktoria Falkowski,  Alexander Zeugner,  Anna Isaeva,  Klaus Wurst,  Michael Ruck,  Hubert Huppertz|2019|Z.Anorg.Allg.Chem.|645|919|doi:10.1002/zaac.201900103
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: 10.25505/fiz.icsd.cc221phb
title: CSD 1908251: Experimental Crystal Structure Determination

description: Related Article: Viktoria Falkowski,  Alexander Zeugner,  Anna Isaeva,  Klaus Wurst,  Michael Ruck,  Hubert Huppertz|2019|Z.Anorg.Allg.Chem.|645|919|doi:10.1002/zaac.201900103
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.cc221pmg
title: CCDC 1908255: Experimental Crystal Structure Determination

description: Related Article: Lianqing Chen,  Xiaoshan Wei|2019|Z.Kristallogr.-New Cryst.Struct.|234|839 |doi:10.1515/ncrs-2019-0148
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.cc2178dz
title: CCDC 1883820: Experimental Crystal Structure Determination

description: Related Article: María Batuecas, Junfei Luo, Ivana Gergelitsová, Katrina Krämer, Daniel Whitaker, Iñigo J. Vitorica-Yrezabal, Igor Larrosa|2019|ACS Catalysis|9|5268|doi:10.1021/acscatal.9b00918
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.cc221pqk
title: CCDC 1908258: Experimental Crystal Structure Determination

description: Related Article: Zubair Ahmed, Rian E. Aderne, Jiang Kai, Jackson A. L. C. Resende, Helmut I. Padilla-Chavarría, Marco Cremona|2017|RSC Advances|7|18239|doi:10.1039/C6RA27473K
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.cc221q40
title: CCDC 1908271: Experimental Crystal Structure Determination

description: Related Article: Yongquan Ning, Xinyu Zhang, Yi Gai, Yuanqing Dong, Paramasivam Sivaguru, Yingying Wang, Bhoomireddy Rajendra Prasad Reddy, Giuseppe Zanoni, Xihe Bi|2020|Angew.Chem.,Int.Ed.|59|6473|doi:10.1002/anie.202000119
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.cc21zddv
title: CCDC 1906047: Experimental Crystal Structure Determination

description: Related Article: Chaolin Miao|2019|Inorg.Chem.Commun.|105|86|doi:10.1016/j.inoche.2019.04.042
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.cc221qxs
title: CCDC 1908295: Experimental Crystal Structure Determination

description: Related Article: Zheng-Nan Dong, Jin-Ying Liang, Wen-Xu Zheng, Jia-Rong Zhou, Chun-Lin Ni|2020|J.Coord.Chem.|73|799|doi:10.1080/00958972.2020.1747613
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.