cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.17436693
title: Molecular dynamics simulation of PANX1 channel with/without mefloquine

description: Molecular dynamics simulation of PANX1 channel with/without mefloquine



MD trajectories with mefloquine



MD_200ns_withMFQ_repeat1.xtc (md5:f64ae08572c3e68fe8f97fb1d318094a)

MD_200ns_withMFQ_repeat2.xtc (md5:166e769065cca4030360d904454c3049)

MD_200ns_withMFQ_repeat3.xtc (md5:de26410e7266a40da7d0f4ea711bd720)

Portable binary run input file: MD_200ns_withMFQ.tpr (md5:f4b4729bec0c9ed761194b8045e8f176)

Topology file: MD_200ns_withMFQ.gro (md5:28c99b4b6918ed590127f7e1ae7a4ba7)

Index file: MD_200ns_withMFQ.ndx (md5:522de983c680aa56288c59e1fbb614e9)



MD trajectories with mefloquine





MD_200ns_noMFQ_repeat2.xtc (md5:2de02fba6ac20e8f68c61bf54643797f)

MD_200ns_noMFQ_repeat1.xtc (md5:819ea1432a043197edee66e9f74ee038)

MD_200ns_noMFQ_repeat3.xtc (md5:c5445e1a65fed21005b13a81ada9f41f)

Portable binary run input file: MD_200ns_noMFQ.tpr (md5:d242d3fed2ae08f34a48403e68c29f5a)

Topology file: MD_200ns_noMFQ.gro (md5:388f12514de796b8b9993adbb9b57311)

Index file: MD_200ns_noMFQ.ndx (md5:5ab9aa5a56e473ea6347d7d47e17a9f6)
DOI: 10.5517/ccdc.csd.cc1zcyfq
title: CCDC 1828734: Experimental Crystal Structure Determination

description: Related Article: Michael A. Schmidt,  Eric M. Simmons,  Carolyn S. Wei,  Hyunsoo Park,  and Martin D. Eastgate|2018|J.Org.Chem.|83|3928|doi:10.1021/acs.joc.8b00285
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.17436692
title: Molecular dynamics simulation of PANX1 channel with/without mefloquine

description: Molecular dynamics simulation of PANX1 channel with/without mefloquine



MD trajectories with mefloquine



MD_200ns_withMFQ_repeat1.xtc (md5:f64ae08572c3e68fe8f97fb1d318094a)

MD_200ns_withMFQ_repeat2.xtc (md5:166e769065cca4030360d904454c3049)

MD_200ns_withMFQ_repeat3.xtc (md5:de26410e7266a40da7d0f4ea711bd720)

Portable binary run input file: MD_200ns_withMFQ.tpr (md5:f4b4729bec0c9ed761194b8045e8f176)

Topology file: MD_200ns_withMFQ.gro (md5:28c99b4b6918ed590127f7e1ae7a4ba7)

Index file: MD_200ns_withMFQ.ndx (md5:522de983c680aa56288c59e1fbb614e9)



MD trajectories with mefloquine





MD_200ns_noMFQ_repeat2.xtc (md5:2de02fba6ac20e8f68c61bf54643797f)

MD_200ns_noMFQ_repeat1.xtc (md5:819ea1432a043197edee66e9f74ee038)

MD_200ns_noMFQ_repeat3.xtc (md5:c5445e1a65fed21005b13a81ada9f41f)

Portable binary run input file: MD_200ns_noMFQ.tpr (md5:d242d3fed2ae08f34a48403e68c29f5a)

Topology file: MD_200ns_noMFQ.gro (md5:388f12514de796b8b9993adbb9b57311)

Index file: MD_200ns_noMFQ.ndx (md5:5ab9aa5a56e473ea6347d7d47e17a9f6)
DOI: 10.5517/ccdc.csd.cc1zcyq0
title: CCDC 1828743: Experimental Crystal Structure Determination

description: Related Article: Dan Liu,  Min Chen,  Duowen Fang,  Ai-Quan Jia,  Qian-Feng Zhang|2018|J.Chem.Cryst.|48|1|doi:10.1007/s10870-018-0705-7
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.cc1zcyr1
title: CCDC 1828744: Experimental Crystal Structure Determination

description: Related Article: Dan Liu,  Min Chen,  Duowen Fang,  Ai-Quan Jia,  Qian-Feng Zhang|2018|J.Chem.Cryst.|48|1|doi:10.1007/s10870-018-0705-7
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.cc1zd5xg
title: CCDC 1828966: Experimental Crystal Structure Determination

description: Related Article: Tao Liang, Shabnam B. Goudari, Changle Chen|2020|Nat.Commun.|11|372|doi:10.1038/s41467-019-14211-0
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.cc1zcyw5
title: CCDC 1828748: Experimental Crystal Structure Determination

description: Related Article: Tao He,  Bin Li,  Li‐Chuan Liu,  Jing Wang,  Wen‐Peng Ma,  Guang‐Yu Li,  Qing‐Wei Zhang,  Wei He|2019|Chem.-Eur.J.|25|966|doi:10.1002/chem.201804480
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.cc1zcyx6
title: CCDC 1828749: Experimental Crystal Structure Determination

description: Related Article: Xue-song Wang, Xiao-rong Tang, Mi-jun Peng, Yong-zhan Mai|2022|Med.Chem.Res.|31|94|doi:10.1007/s00044-021-02818-2
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.cc1zcz6j
title: CCDC 1828758: Experimental Crystal Structure Determination

description: Related Article: Chong Lei, Lijie Peng, Ke Ding|2018|Adv.Synth.Catal.|360|2952|doi:10.1002/adsc.201800465
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.cc1zcz7k
title: CCDC 1828759: Experimental Crystal Structure Determination

description: Related Article: Chong Lei, Lijie Peng, Ke Ding|2018|Adv.Synth.Catal.|360|2952|doi:10.1002/adsc.201800465
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.cc1nbfm1
title: CCDC 1529373: Experimental Crystal Structure Determination

description: Related Article: Zhong-Sheng Cai, Yi Shi, Song-Song Bao, Yang Shen, Xing-Hua Xia, and Li-Min Zheng|2018|ACS Catalysis|8|3895|doi:10.1021/acscatal.7b04276
description: Related Article: Zhong-Sheng Cai, Norihisa Hoshino, Song-Song Bao, Jaige Jia, Tomoyuki Akutagawa, Li-Min Zheng|2018|Chem.-Eur.J.|24|13495|doi:10.1002/chem.201801301
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.cc1zcz8l
title: CCDC 1828760: Experimental Crystal Structure Determination

description: Related Article: Yuanyuan Li, Min Xiao, Yunyin Niu|2018|Main Group Chem.|17|257|doi:10.3233/MGC-180655
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.cc1zcz9m
title: CCDC 1828761: Experimental Crystal Structure Determination

description: Related Article: Yuanyuan Li, Min Xiao, Yunyin Niu|2018|Main Group Chem.|17|257|doi:10.3233/MGC-180655
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.cc1zczdq
title: CCDC 1828764: Experimental Crystal Structure Determination

description: Related Article: Yu Xue,  Peiran Song,  Zilan Song,  Aoli Wang,  Linjiang Tong,  Meiyu Geng,  Jian Ding,  Qingsong Liu,  Liping Sun,  Hua Xie,  and Ao Zhang|2018|J.Med.Chem.|61|4608|doi:10.1021/acs.jmedchem.8b00441
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.cc1zczgs
title: CCDC 1828766: Experimental Crystal Structure Determination

description: Related Article: Hua-Bo Han, Zheng-Guang Wu, You-Xuan Zheng|2018|Inorg.Chem.Front.|5|1545|doi:10.1039/C8QI00294K
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.cc1zczjv
title: CCDC 1828768: Experimental Crystal Structure Determination

description: Related Article: Yue-Lan Li,  Yun Gao,  Chun-Yu Liu,  Chun-Jing Sun,  Zun-Tian Zhao,  Hong-Xiang Lou|2019|J.Nat.Prod.|82|1527 |doi:10.1021/acs.jnatprod.8b01066
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.cc1zczlx
title: CCDC 1828770: Experimental Crystal Structure Determination

description: Related Article: Thandeka Tshabalala, Stephen Ojwach|2018|J.Organomet.Chem.|873|35|doi:10.1016/j.jorganchem.2018.07.034
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.cc1zczmy
title: CCDC 1828771: Experimental Crystal Structure Determination

description: Related Article: Hua-Bo Han, Zheng-Guang Wu, You-Xuan Zheng|2018|Inorg.Chem.Front.|5|1545|doi:10.1039/C8QI00294K
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.cc1zczq1
title: CCDC 1828774: Experimental Crystal Structure Determination

description: Related Article: Xiaohui He,  Chuanyi Zhu,  Shengmei Huang,  Yapeng Duan,  Feng Zhang,  Changwen Cheng,  Kai Wang,  Yan Guo,  Bin Wu,  Yufei Wen,  Jianhua Zou,  Defu Chen|2020|Appl.Organomet.Chem.|34|e5625|doi:10.1002/aoc.5625
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.cc1zd0cr
title: CCDC 1828794: Experimental Crystal Structure Determination

description: Related Article: Ryan S. Scott, Alex J. Veinot, Darcie L. Stack, Patrick T. Gormley, B. Ninh Khuong, Christopher M. Vogels, Jason D. Masuda, Felix J. Baerlocher, Tyson J. MacCormack, Stephen A. Westcott|2018|Can.J.Chem.|96|906|doi:10.1139/cjc-2018-0108
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.cc1zd0ds
title: CCDC 1828795: Experimental Crystal Structure Determination

description: Related Article: Ryan S. Scott, Alex J. Veinot, Darcie L. Stack, Patrick T. Gormley, B. Ninh Khuong, Christopher M. Vogels, Jason D. Masuda, Felix J. Baerlocher, Tyson J. MacCormack, Stephen A. Westcott|2018|Can.J.Chem.|96|906|doi:10.1139/cjc-2018-0108
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.cc1yxvyn
title: CCDC 1815203: Experimental Crystal Structure Determination

description: Related Article: Davut Avcı, Sümeyye Altürk, Fatih Sönmez, Ömer Tamer, Adil Başoğlu, Yusuf Atalay, Belma Zengin Kurt, Necmi Dege|2021|Mol.Diversity|25|171|doi:10.1007/s11030-020-10037-x
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.cc1zd0ft
title: CCDC 1828796: Experimental Crystal Structure Determination

description: Related Article: Monalisa Goswami and Bas de Bruin |2018|Molecules|23|1052|doi:10.3390/molecules23051052
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.cc1zd7g2
title: CCDC 1829014: Experimental Crystal Structure Determination

description: Related Article: Taisuke Matsuno, Masahiro Fujita, Kengo Fukunaga, Sota Sato, Hiroyuki Isobe|2018|Nat.Commun.|9|3779|doi:10.1038/s41467-018-06270-6
description: Related Article: Taisuke Matsuno, Masahiro Fujita, Kengo Fukunaga, Sota Sato, Hiroyuki Isobe|2018|CSD Communication|||
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.cc1zd7h3
title: CCDC 1829015: Experimental Crystal Structure Determination

description: Related Article: Taisuke Matsuno, Masahiro Fujita, Kengo Fukunaga, Sota Sato, Hiroyuki Isobe|2018|Nat.Commun.|9|3779|doi:10.1038/s41467-018-06270-6
description: Related Article: Taisuke Matsuno, Masahiro Fujita, Kengo Fukunaga, Sota Sato, Hiroyuki Isobe|2018|CSD Communication|||
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.cc1zd7j4
title: CCDC 1829016: Experimental Crystal Structure Determination

description: Related Article: Taisuke Matsuno, Masahiro Fujita, Kengo Fukunaga, Sota Sato, Hiroyuki Isobe|2018|Nat.Commun.|9|3779|doi:10.1038/s41467-018-06270-6
description: Related Article: Taisuke Matsuno, Masahiro Fujita, Kengo Fukunaga, Sota Sato, Hiroyuki Isobe|2018|CSD Communication|||
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.cc1zd7k5
title: CCDC 1829017: Experimental Crystal Structure Determination

description: Related Article: Taisuke Matsuno, Masahiro Fujita, Kengo Fukunaga, Sota Sato, Hiroyuki Isobe|2018|Nat.Commun.|9|3779|doi:10.1038/s41467-018-06270-6
description: Related Article: Taisuke Matsuno, Masahiro Fujita, Kengo Fukunaga, Sota Sato, Hiroyuki Isobe|2018|CSD Communication|||
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.cc1zd0x9
title: CCDC 1828811: Experimental Crystal Structure Determination

description: Related Article: Xiu-Mei Li,  Ya-Ru Pan,  Bo Liu,  Shi Zhou,  Ying-Fei Chang|2018|Wuji Huaxue Xuebao|34|1923|doi:10.11862/CJIC.2018.225
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.cc1zd0yb
title: CCDC 1828812: Experimental Crystal Structure Determination

description: Related Article: Bo Liu,  Cong Lv,  Xiu-Mei Li,  Ya-Ru Pan,  Guang-Bo Che,  Shi Zhou|2018|Jiegou Huaxue|37|1821|doi:10.14102/j.cnki.0254-5861.2011-2003
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.cc1zd0zc
title: CCDC 1828813: Experimental Crystal Structure Determination

description: Related Article: Bo Liu,  Cong Lv,  Xiu-Mei Li,  Ya-Ru Pan,  Guang-Bo Che,  Shi Zhou|2018|Jiegou Huaxue|37|1821|doi:10.14102/j.cnki.0254-5861.2011-2003
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.cc1zczx7
title: CCDC 1828780: Experimental Crystal Structure Determination

description: Related Article: Hairong Zhang, Lihua Guo, Zhenzhen Tian, Meng Tian, Shumiao Zhang, Zhishan Xu, Peiwei Gong, Xiaofeng Zheng, Jia Zhao, Zhe Liu|2018|Chem.Commun.|54|4421|doi:10.1039/C8CC01326H
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.cc1zd15l
title: CCDC 1828819: Experimental Crystal Structure Determination

description: Related Article: Hui Zhang,  Shan-Shan Yu,  Hai-Bao Duan|2018|Inorg.Chem.Commun.|93|1|doi:10.1016/j.inoche.2018.04.030
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.cc1zd1t7
title: CCDC 1828839: Experimental Crystal Structure Determination

description: Related Article: Jiří Pinkas, Róbert Gyepes, Ivana Císařová, Jiří Kubišta, Michal Horáček, Naděžda Žilková, Karel Mach|2018|Dalton Trans.|47|8921|doi:10.1039/C8DT01909F
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.cc1zd1v8
title: CCDC 1828840: Experimental Crystal Structure Determination

description: Related Article: Jiří Pinkas, Róbert Gyepes, Ivana Císařová, Jiří Kubišta, Michal Horáček, Naděžda Žilková, Karel Mach|2018|Dalton Trans.|47|8921|doi:10.1039/C8DT01909F
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.cc1zd29r
title: CCDC 1828854: Experimental Crystal Structure Determination

description: Related Article: Ishani I. Sahay,  and Prasanna S. Ghalsasi|2019|ACS Omega|4|437|doi:10.1021/acsomega.8b02688
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.