cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc108f8z
title: CCDC 931620: Experimental Crystal Structure Determination

description: Related Article: S.K.Vellas,J.E.M.Lewis,M.Shankar,A.Sagatova,J.D.A.Tyndall,B.C.Monk,C.M.Fitchett,L.R.Hanton,J.D.Crowley|2013|Molecules|18|6383|doi:10.3390/molecules18066383
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/cc108f6x
title: CCDC 931618: Experimental Crystal Structure Determination

description: Related Article: S.K.Vellas,J.E.M.Lewis,M.Shankar,A.Sagatova,J.D.A.Tyndall,B.C.Monk,C.M.Fitchett,L.R.Hanton,J.D.Crowley|2013|Molecules|18|6383|doi:10.3390/molecules18066383
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/cc108f7y
title: CCDC 931619: Experimental Crystal Structure Determination

description: Related Article: S.K.Vellas,J.E.M.Lewis,M.Shankar,A.Sagatova,J.D.A.Tyndall,B.C.Monk,C.M.Fitchett,L.R.Hanton,J.D.Crowley|2013|Molecules|18|6383|doi:10.3390/molecules18066383
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/cc108f4v
title: CCDC 931616: Experimental Crystal Structure Determination

description: Related Article: S.K.Vellas,J.E.M.Lewis,M.Shankar,A.Sagatova,J.D.A.Tyndall,B.C.Monk,C.M.Fitchett,L.R.Hanton,J.D.Crowley|2013|Molecules|18|6383|doi:10.3390/molecules18066383
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/cc108f5w
title: CCDC 931617: Experimental Crystal Structure Determination

description: Related Article: S.K.Vellas,J.E.M.Lewis,M.Shankar,A.Sagatova,J.D.A.Tyndall,B.C.Monk,C.M.Fitchett,L.R.Hanton,J.D.Crowley|2013|Molecules|18|6383|doi:10.3390/molecules18066383
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/cc108dg4
title: CCDC 931595: Experimental Crystal Structure Determination

description: Related Article: Manik Lal Saha, Kingsuk Mahata, Debabrata Samanta, Venkateshwarlu Kalsani, Jian Fan, Jan W. Bats, Michael Schmittel|2013|Dalton Trans.|42|12840|doi:10.1039/C3DT51351C
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/cc108fd3
title: CCDC 931624: Experimental Crystal Structure Determination

description: Related Article: Xiaoyi Xin, Dongping Wang, Fan Wu, Chunxiang Wang, Haolong Wang, Xincheng Li, Boshun Wan|2013|Org.Lett.|15|4512|doi:10.1021/ol4020738
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/cc108g6y
title: CCDC 931649: Experimental Crystal Structure Determination

description: Related Article: Masayuki Iwasaki, Tomoya Fujii, Arisa Yamamoto, Kiyohiko Nakajima, Yasushi Nishihara|2014|Chem.Asian J.|9|58|doi:10.1002/asia.201301295
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/cc108g7z
title: CCDC 931650: Experimental Crystal Structure Determination

description: Related Article: Tadashi Miyazawa,Kouhei Umezaki,Noriko Tarashima,Kazuhiro Furukawa,Takashi Ooi,Noriaki Minakawa|2013|Chem.Commun.|49|7851|doi:10.1039/C3CC44848G
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/cc108g91
title: CCDC 931652: Experimental Crystal Structure Determination

description: Related Article: Shin'ichi Nakatsuji, Kazuya Fujiwara, Hiroki Akutsu, Jun-ichi Yamada, Masaharu Satoh|2013|New J.Chem.|37|2468|doi:10.1039/C3NJ00343D
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/cc108g80
title: CCDC 931651: Experimental Crystal Structure Determination

description: Related Article: Shin'ichi Nakatsuji, Kazuya Fujiwara, Hiroki Akutsu, Jun-ichi Yamada, Masaharu Satoh|2013|New J.Chem.|37|2468|doi:10.1039/C3NJ00343D
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.cc108fb1
title: CCDC 931622: Experimental Crystal Structure Determination

description: Related Article: Rui Ding, Jian-Guo Fu, Bingfeng Sun, Guang-Qiang Xu, guoqiang lin|2014|J.Org.Chem.|79|240|doi:10.1021/jo402419h
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/cc108h1t
title: CCDC 931675: Experimental Crystal Structure Determination

description: Related Article: Hiromu Takiguchi, Ken Ohmori, Keisuke Suzuki|2013|Angew.Chem.,Int.Ed.|52|10472|doi:10.1002/anie.201304929
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/cc108h2v
title: CCDC 931676: Experimental Crystal Structure Determination

description: Related Article: Hiromu Takiguchi, Ken Ohmori, Keisuke Suzuki|2013|Angew.Chem.,Int.Ed.|52|10472|doi:10.1002/anie.201304929
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/cc108h4x
title: CCDC 931678: Experimental Crystal Structure Determination

description: Related Article: Bertrand Brizet, Claire Bernhard, Yulia Volkova, Yoann Rousselin, Pierre D. Harvey, Christine Goze, Franck Denat|2013|Org.Biomol.Chem.|11|7729|doi:10.1039/C3OB41370E
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/cc108h5y
title: CCDC 931679: Experimental Crystal Structure Determination

description: Related Article: Ning Wang, Kento Imai,Cui-Qing Pang,Ming-Qi Wang,Mizuho Yonezawa,Yu Zhang,Junzo Nokami,Tsutomu Inokuchi|2013|Bull.Chem.Soc.Jpn.|86|864|doi:10.1246/bcsj.20130063
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/cc108h70
title: CCDC 931681: Experimental Crystal Structure Determination

description: Related Article: Chih-Min Wang, Cheng-Wei Chiu, Hsiu-Mei Lin, Kwang-Hwa Lii|2013|J.Solid State Chem.|208|116|doi:10.1016/j.jssc.2013.06.029
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/cc108frg
title: CCDC 931635: Experimental Crystal Structure Determination

description: Related Article: Shui-Sheng Chen, Rui Qiao, Liang-Quan Sheng, Song Yang, Zhao-Di Liu|2013|Z.Anorg.Allg.Chem.|639|1808|doi:10.1002/zaac.201300189
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/cc108gtk
title: CCDC 931668: Experimental Crystal Structure Determination

description: Related Article: Ivo C. Ivanov, Violina T. Angelova, Ioannis Tiritiris and Toma Glasnov|2014|J.Heterocycl.Chem.|51|1031|doi:10.1002/jhet.2103
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/cc108fpd
title: CCDC 931633: Experimental Crystal Structure Determination

description: Related Article: Shui-Sheng Chen, Rui Qiao, Liang-Quan Sheng, Song Yang, Zhao-Di Liu|2013|Z.Anorg.Allg.Chem.|639|1808|doi:10.1002/zaac.201300189
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/cc108fqf
title: CCDC 931634: Experimental Crystal Structure Determination

description: Related Article: Shui-Sheng Chen, Rui Qiao, Liang-Quan Sheng, Song Yang, Zhao-Di Liu|2013|Z.Anorg.Allg.Chem.|639|1808|doi:10.1002/zaac.201300189
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/cc108d3s
title: CCDC 931584: Experimental Crystal Structure Determination

description: Related Article: G.M.Day, T.G.Cooper, A.J.Cruz-Cabeza, K.E.Hejczyk, H.L.Ammon, S.X.M.Boerrigter, J.S.Tan, R.G.D.Valle, E.Venuti,J.Jose, S.R.Gadre, G.R.Desiraju, T.S.Thakur, B.P.v.Eijck, J.C.Facelli, V.E.Bazterra, M.B.Ferraro, D.W.M.Hofmann, M.A.Neumann, F.J.J.Leusen, J.Kendrick, S.L.Price, A.J.Misquitta, P.G.Karamertzanis, G.W.A.Welch, H.A.Scheraga, Y.A.Arnautova, M.U.Schmidt, J.van de Streek, A.K.Wolf, B.Schweizer|2009|Acta Crystallogr.,Sect.B:Struct.Sci.|65|107|doi:10.1107/S0108768109004066
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/cc108fnc
title: CCDC 931632: Experimental Crystal Structure Determination

description: Related Article: Shui-Sheng Chen, Rui Qiao, Liang-Quan Sheng, Song Yang, Zhao-Di Liu|2013|Z.Anorg.Allg.Chem.|639|1808|doi:10.1002/zaac.201300189
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/cc108d2r
title: CCDC 931583: Experimental Crystal Structure Determination

description: Related Article: G.M.Day, T.G.Cooper, A.J.Cruz-Cabeza, K.E.Hejczyk, H.L.Ammon, S.X.M.Boerrigter, J.S.Tan, R.G.D.Valle, E.Venuti,J.Jose, S.R.Gadre, G.R.Desiraju, T.S.Thakur, B.P.v.Eijck, J.C.Facelli, V.E.Bazterra, M.B.Ferraro, D.W.M.Hofmann, M.A.Neumann, F.J.J.Leusen, J.Kendrick, S.L.Price, A.J.Misquitta, P.G.Karamertzanis, G.W.A.Welch, H.A.Scheraga, Y.A.Arnautova, M.U.Schmidt, J.van de Streek, A.K.Wolf, B.Schweizer|2009|Acta Crystallogr.,Sect.B:Struct.Sci.|65|107|doi:10.1107/S0108768109004066
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/cc108d0p
title: CCDC 931581: Experimental Crystal Structure Determination

description: Related Article: G.M.Day, T.G.Cooper, A.J.Cruz-Cabeza, K.E.Hejczyk, H.L.Ammon, S.X.M.Boerrigter, J.S.Tan, R.G.D.Valle, E.Venuti,J.Jose, S.R.Gadre, G.R.Desiraju, T.S.Thakur, B.P.v.Eijck, J.C.Facelli, V.E.Bazterra, M.B.Ferraro, D.W.M.Hofmann, M.A.Neumann, F.J.J.Leusen, J.Kendrick, S.L.Price, A.J.Misquitta, P.G.Karamertzanis, G.W.A.Welch, H.A.Scheraga, Y.A.Arnautova, M.U.Schmidt, J.van de Streek, A.K.Wolf, B.Schweizer|2009|Acta Crystallogr.,Sect.B:Struct.Sci.|65|107|doi:10.1107/S0108768109004066
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/cc108d1q
title: CCDC 931582: Experimental Crystal Structure Determination

description: Related Article: G.M.Day, T.G.Cooper, A.J.Cruz-Cabeza, K.E.Hejczyk, H.L.Ammon, S.X.M.Boerrigter, J.S.Tan, R.G.D.Valle, E.Venuti,J.Jose, S.R.Gadre, G.R.Desiraju, T.S.Thakur, B.P.v.Eijck, J.C.Facelli, V.E.Bazterra, M.B.Ferraro, D.W.M.Hofmann, M.A.Neumann, F.J.J.Leusen, J.Kendrick, S.L.Price, A.J.Misquitta, P.G.Karamertzanis, G.W.A.Welch, H.A.Scheraga, Y.A.Arnautova, M.U.Schmidt, J.van de Streek, A.K.Wolf, B.Schweizer|2009|Acta Crystallogr.,Sect.B:Struct.Sci.|65|107|doi:10.1107/S0108768109004066
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/cc108fsh
title: CCDC 931636: Experimental Crystal Structure Determination

description: Related Article: Bhaskar Nath, Jubaraj B. Baruah|2014|J.Inorg.Organomet.Polym.Mater.|24|381|doi:10.1007/s10904-013-9963-1
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/cc108hmd
title: CCDC 931693: Experimental Crystal Structure Determination

description: Related Article: D. F. Segura, A. V. G. Netto, R. C. G. Frem,A. E. Mauro, P. B. Da Silva, A. L. T. Dias, N. C. Silva, E. T. De Almeida, F. R. Pavan, J. A. Fernandes, F. A. Almeida Paz|2014|Polyhedron|79|197|doi:10.1016/j.poly.2014.05.004
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/cc108grh
title: CCDC 931666: Experimental Crystal Structure Determination

description: Related Article: Alexander G. Majouga, Maria I. Zvereva, Maria P. Rubtsova, Dmitry A. Skvortsov, Andrei V. Mironov, Dulat M. Azhibek, Olga O. Krasnovskaya, Vasily M. Gerasimov, Anna V. Udina, Nikolay I. Vorozhtsov, Elena K. Beloglazkina, Leonid Agron, Larisa V. Mikhina, Alla V. Tretyakova, Nikolay V. Zyk, Nikolay S. Zefirov, Alexander V. Kabanov, Olga A. Dontsova|2014|J.Med.Chem.|57|6252|doi:10.1021/jm500154f
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/cc108gqg
title: CCDC 931665: Experimental Crystal Structure Determination

description: Related Article: Alexander G. Majouga, Maria I. Zvereva, Maria P. Rubtsova, Dmitry A. Skvortsov, Andrei V. Mironov, Dulat M. Azhibek, Olga O. Krasnovskaya, Vasily M. Gerasimov, Anna V. Udina, Nikolay I. Vorozhtsov, Elena K. Beloglazkina, Leonid Agron, Larisa V. Mikhina, Alla V. Tretyakova, Nikolay V. Zyk, Nikolay S. Zefirov, Alexander V. Kabanov, Olga A. Dontsova|2014|J.Med.Chem.|57|6252|doi:10.1021/jm500154f
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/cc108hqh
title: CCDC 931696: Experimental Crystal Structure Determination

description: Related Article: Guillermo Fernández de Trocóniz, Ana M. Ochoa de Retana, Sergio Pascual, José M. Ezpeleta, Francisco Palacios|2013|Eur.J.Org.Chem.|2013|5614|doi:10.1002/ejoc.201300580
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/cc108gd4
title: CCDC 931655: Experimental Crystal Structure Determination

description: Related Article: Rajeev Ranjan Jha, Abhinandan Kumar Danodia, Sushil Kumar, Akhilesh Kumar Verma|2014|Tetrahedron Lett.|55|610|doi:10.1016/j.tetlet.2013.11.072
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/cc108hpg
title: CCDC 931695: Experimental Crystal Structure Determination

description: Related Article: Guillermo Fernández de Trocóniz, Ana M. Ochoa de Retana, Sergio Pascual, José M. Ezpeleta, Francisco Palacios|2013|Eur.J.Org.Chem.|2013|5614|doi:10.1002/ejoc.201300580
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/cc108gc3
title: CCDC 931654: Experimental Crystal Structure Determination

description: Related Article: Rajeev Ranjan Jha, Trapti Aggarwal, Akhilesh Kumar Verma|2014|Tetrahedron Lett.|55|2603|doi:10.1016/j.tetlet.2014.02.103
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/cc108fzp
title: CCDC 931642: Experimental Crystal Structure Determination

description: Related Article: Jin Jiang, Handong Yin, Fangli Wang, Zhong Han, Fei Wang, Shuang Cheng, Min Hong|2013|Dalton Trans.|42|8563|doi:10.1039/C3DT50221J
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.