cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc27fbhj
title: CCDC 2068397: Experimental Crystal Structure Determination

description: Related Article: Rahul T. Bhoi, Jamatsing D. Rajput, Ratnamala S. Bendre|2022|Res.Chem.Intermed.|48|401|doi:10.1007/s11164-021-04601-9
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.cc27fbkl
title: CCDC 2068399: Experimental Crystal Structure Determination

description: Related Article: Muhammad Ashfaq, Muhammad Nawaz Tahir, Shabbir Muhammad, Khurram Shahzad Munawar, Akbar Ali, Georgii Bogdanov, Saleh S. Alarfaji|2021|ACS Omega|6|31211|doi:10.1021/acsomega.1c04884
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.cc27fblm
title: CCDC 2068400: Experimental Crystal Structure Determination

description: Related Article: Muhammad Ashfaq, Muhammad Nawaz Tahir, Shabbir Muhammad, Khurram Shahzad Munawar, Akbar Ali, Georgii Bogdanov, Saleh S. Alarfaji|2021|ACS Omega|6|31211|doi:10.1021/acsomega.1c04884
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.cc27fbmn
title: CCDC 2068401: Experimental Crystal Structure Determination

description: Related Article: Gobinda Dolai, Rajat Subhra Giri, Bhubaneswar Mandal
|2021|ACS Appl. Bio Mater.|4|8343|doi:10.1021/acsabm.1c00869
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.cc27fbnp
title: CCDC 2068402: Experimental Crystal Structure Determination

description: Related Article: Gobinda Dolai, Rajat Subhra Giri, Bhubaneswar Mandal
|2021|ACS Appl. Bio Mater.|4|8343|doi:10.1021/acsabm.1c00869
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.cc27fbpq
title: CCDC 2068403: Experimental Crystal Structure Determination

description: Related Article: Gobinda Dolai, Rajat Subhra Giri, Bhubaneswar Mandal
|2021|ACS Appl. Bio Mater.|4|8343|doi:10.1021/acsabm.1c00869
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.cc27fc02
title: CCDC 2068413: Experimental Crystal Structure Determination

description: Related Article: Jun Liu, Lijun Xu, Xiaolong Yu, Meijuan Zhou, Hongyu Wang, Gang Zhao|2024|ACS Catalysis|14|7267|doi:10.1021/acscatal.4c01805
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.cc27fc13
title: CCDC 2068414: Experimental Crystal Structure Determination

description: Related Article: Jun Liu, Lijun Xu, Xiaolong Yu, Meijuan Zhou, Hongyu Wang, Gang Zhao|2024|ACS Catalysis|14|7267|doi:10.1021/acscatal.4c01805
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.cc27fcdg
title: CCDC 2068425: Experimental Crystal Structure Determination

description: Related Article: Han Feng, Xue Feng Feng, Feng Luo|2021|J.Solid State Chem.|299|122153|doi:10.1016/j.jssc.2021.122153
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.cc27fdmq
title: CCDC 2068463: Experimental Crystal Structure Determination

description: Related Article: Tyler Gordon Saint-Denis, Nelson Y. S. Lam, Nikita Chekshin, Paul F. Richardson, Jason S. Chen, Jeff Elleraas, Kevin D. Hesp, Daniel C. Schmitt, Yajing Lian, Chan Woo Huh, Jin-Quan Yu|2021|ACS Catalysis|11|9738|doi:10.1021/acscatal.1c02808
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.cc27fdps
title: CCDC 2068465: Experimental Crystal Structure Determination

description: Related Article: Xia Zhang, Zhan Wu, Jin-Yan Xu, Wen-Xin Li, Xiu-Ling Li|2021|Polyhedron|202|115197|doi:10.1016/j.poly.2021.115197
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.cc27fdqt
title: CCDC 2068466: Experimental Crystal Structure Determination

description: Related Article: Xia Zhang, Zhan Wu, Jin-Yan Xu, Wen-Xin Li, Xiu-Ling Li|2021|Polyhedron|202|115197|doi:10.1016/j.poly.2021.115197
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.cc25sg7p
title: CCDC 2019502: Experimental Crystal Structure Determination

description: Related Article: Tyler Gordon Saint-Denis, Nelson Y. S. Lam, Nikita Chekshin, Paul F. Richardson, Jason S. Chen, Jeff Elleraas, Kevin D. Hesp, Daniel C. Schmitt, Yajing Lian, Chan Woo Huh, Jin-Quan Yu|2021|ACS Catalysis|11|9738|doi:10.1021/acscatal.1c02808
description: Related Article: Tyler Gordon Saint-Denis, Nelson Y. S. Lam, Nikita Chekshin, Paul F. Richardson, Jason S. Chen, Jeff Elleraas, Kevin D. Hesp, Daniel C. Schmitt, Yajing Lian, Chan Woo Huh, Jin-Quan Yu|2021|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.cc27fdtx
title: CCDC 2068469: Experimental Crystal Structure Determination

description: Related Article: Muhan Ding, Suran Wan, Nan Wu, Ya Yan, Junhong Li, Xiaoping Bao|2021|J.Agric.Food Chem.|69|15084|doi:10.1021/acs.jafc.1c02144
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.cc27ff04
title: CCDC 2068475: Experimental Crystal Structure Determination

description: Related Article: Yang Liu, Xue-Li Cao, Wei Wang, Guo-Ling Li, Shun Li, You-Gui Huang|2021|Jiegou Huaxue|40|1475|doi:10.14102/j.cnki.0254-5861.2011-3190
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.cc27ffhm
title: CCDC 2068490: Experimental Crystal Structure Determination

description: Related Article: Zhenyu Ji,  Zhengyi Di,  Hengbo Li,  Shuixiang Zou,  Mingyan Wu,  Maochun Hong|2021|Inorg.Chem.Commun.|128|108597|doi:10.1016/j.inoche.2021.108597
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.17292144
title: Semi-Automated Modeling of Reaction States in Time-Resolved Serial Femtosecond Crystallography Using Molecular Dynamics Sampled Conformations

description: This repository contains the results from the study published in Structural Dynamics, which explores the use of molecular dynamics (MD) simulations to model reaction states in time-resolved serial femtosecond crystallography. In this approach, conformational samples generated by MD simulations are used as initial models for refinement against diffraction data for triggered states.
DOI: 10.5281/zenodo.17292145
title: Semi-Automated Modeling of Reaction States in Time-Resolved Serial Femtosecond Crystallography Using Molecular Dynamics Sampled Conformations

description: This repository contains the results from the study published in Structural Dynamics, which explores the use of molecular dynamics (MD) simulations to model reaction states in time-resolved serial femtosecond crystallography. In this approach, conformational samples generated by MD simulations are used as initial models for refinement against diffraction data for triggered states.
DOI: 10.5517/ccdc.csd.cc27ffjn
title: CCDC 2068491: Experimental Crystal Structure Determination

description: Related Article: Zhenyu Ji,  Zhengyi Di,  Hengbo Li,  Shuixiang Zou,  Mingyan Wu,  Maochun Hong|2021|Inorg.Chem.Commun.|128|108597|doi:10.1016/j.inoche.2021.108597
description: Related Article: Zhenyu Ji|2024|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.cc27ffkp
title: CCDC 2068492: Experimental Crystal Structure Determination

description: Related Article: Zhenyu Ji,  Zhengyi Di,  Hengbo Li,  Shuixiang Zou,  Mingyan Wu,  Maochun Hong|2021|Inorg.Chem.Commun.|128|108597|doi:10.1016/j.inoche.2021.108597
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.cc27fflq
title: CCDC 2068493: Experimental Crystal Structure Determination

description: Related Article: Zhenyu Ji,  Zhengyi Di,  Hengbo Li,  Shuixiang Zou,  Mingyan Wu,  Maochun Hong|2021|Inorg.Chem.Commun.|128|108597|doi:10.1016/j.inoche.2021.108597
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.cc27ffmr
title: CCDC 2068494: Experimental Crystal Structure Determination

description: Related Article: Zhenyu Ji,  Zhengyi Di,  Hengbo Li,  Shuixiang Zou,  Mingyan Wu,  Maochun Hong|2021|Inorg.Chem.Commun.|128|108597|doi:10.1016/j.inoche.2021.108597
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.cc27ffns
title: CCDC 2068495: Experimental Crystal Structure Determination

description: Related Article: Zhenyu Ji,  Zhengyi Di,  Hengbo Li,  Shuixiang Zou,  Mingyan Wu,  Maochun Hong|2021|Inorg.Chem.Commun.|128|108597|doi:10.1016/j.inoche.2021.108597
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.cc27ffpt
title: CCDC 2068496: Experimental Crystal Structure Determination

description: Related Article: Zhenyu Ji,  Zhengyi Di,  Hengbo Li,  Shuixiang Zou,  Mingyan Wu,  Maochun Hong|2021|Inorg.Chem.Commun.|128|108597|doi:10.1016/j.inoche.2021.108597
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.cc27ffqv
title: CCDC 2068497: Experimental Crystal Structure Determination

description: Related Article: Zhenyu Ji,  Zhengyi Di,  Hengbo Li,  Shuixiang Zou,  Mingyan Wu,  Maochun Hong|2021|Inorg.Chem.Commun.|128|108597|doi:10.1016/j.inoche.2021.108597
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.cc27ffrw
title: CCDC 2068498: Experimental Crystal Structure Determination

description: Related Article: Zhenyu Ji,  Zhengyi Di,  Hengbo Li,  Shuixiang Zou,  Mingyan Wu,  Maochun Hong|2021|Inorg.Chem.Commun.|128|108597|doi:10.1016/j.inoche.2021.108597
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.cc27ffsx
title: CCDC 2068499: Experimental Crystal Structure Determination

description: Related Article: Zhenyu Ji,  Zhengyi Di,  Hengbo Li,  Shuixiang Zou,  Mingyan Wu,  Maochun Hong|2021|Inorg.Chem.Commun.|128|108597|doi:10.1016/j.inoche.2021.108597
description: Related Article: Zhenyu Ji|2024|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.cc27fffk
title: CCDC 2068488: Experimental Crystal Structure Determination

description: Related Article: T. F. Cao, X. X. Zhuang, Z. H. Xu, L. W. Ye, D. P. Li|2022|Russ.J.Coord.Chem.|48|318|doi:10.1134/S1070328422050025
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.cc27ffz3
title: CCDC 2068505: Experimental Crystal Structure Determination

description: Related Article: Dongdong Cao, Gang Chen, Dingben Chen, Zhijun Xia, Zongyang Li, Yi Wang, Dongqing Xu, Jianguo Yang|2021|ACS Omega|6|16969|doi:10.1021/acsomega.1c01992
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.cc27fp4j
title: CCDC 2068727: Experimental Crystal Structure Determination

description: Related Article: Shaun R. Kelsey, Amit Kumar, Allen G. Oliver, Victor W. Day, and James D. Blakemore|2021|ChemElectroChem|8|2792|doi:10.1002/celc.202100358
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.cc27fp5k
title: CCDC 2068728: Experimental Crystal Structure Determination

description: Related Article: Shaun R. Kelsey, Amit Kumar, Allen G. Oliver, Victor W. Day, and James D. Blakemore|2021|ChemElectroChem|8|2792|doi:10.1002/celc.202100358
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.cc27fp6l
title: CCDC 2068729: Experimental Crystal Structure Determination

description: Related Article: Shaun R. Kelsey, Amit Kumar, Allen G. Oliver, Victor W. Day, and James D. Blakemore|2021|ChemElectroChem|8|2792|doi:10.1002/celc.202100358
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.cc27fp7m
title: CCDC 2068730: Experimental Crystal Structure Determination

description: Related Article: Shaun R. Kelsey, Amit Kumar, Allen G. Oliver, Victor W. Day, and James D. Blakemore|2021|ChemElectroChem|8|2792|doi:10.1002/celc.202100358
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.cc27fp8n
title: CCDC 2068731: Experimental Crystal Structure Determination

description: Related Article: Shaun R. Kelsey, Amit Kumar, Allen G. Oliver, Victor W. Day, and James D. Blakemore|2021|ChemElectroChem|8|2792|doi:10.1002/celc.202100358
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.cc261b4r
title: CCDC 2027063: Experimental Crystal Structure Determination

description: Related Article: Meimei Cheng, Pinglin Li, Yun Jiang, Xuli Tang, Wenjie Zhang, Qi Wang, Guoqiang Li|2021|J.Nat.Prod.|84|1345|doi:10.1021/acs.jnatprod.1c00082
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.cc27fp9p
title: CCDC 2068732: Experimental Crystal Structure Determination

description: Related Article: Shaun R. Kelsey, Amit Kumar, Allen G. Oliver, Victor W. Day, and James D. Blakemore|2021|ChemElectroChem|8|2792|doi:10.1002/celc.202100358
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.cc27fhdl
title: CCDC 2068549: Experimental Crystal Structure Determination

description: Related Article: Mei‐Ling Chen, Wang Wang, Ling Xu, Jin‐Feng Zhu|2021|J.Chin.Chem.Soc.(Taipei)|68|1654|doi:10.1002/jccs.202100096
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.