cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc25bs0b
title: CCDC 2006351: Experimental Crystal Structure Determination

description: Related Article: Jerneja Kladnik, Samuel Ristovski, Jakob Kljun, Andrea Defant, Ines Mancini, Kristina Sepčić, Iztok Turel|2020|Int.J.Mol.Sci.|21|5628|doi:10.3390/ijms21165628
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.cc25bs1c
title: CCDC 2006352: Experimental Crystal Structure Determination

description: Related Article: Jerneja Kladnik, Samuel Ristovski, Jakob Kljun, Andrea Defant, Ines Mancini, Kristina Sepčić, Iztok Turel|2020|Int.J.Mol.Sci.|21|5628|doi:10.3390/ijms21165628
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.cc25bsnz
title: CCDC 2006371: Experimental Crystal Structure Determination

description: Related Article: Songwut Suramitr, Jitpinan Teanwarawat, Nuttapong Ithiapa, Worawat Wattanathana, Anwaraporn Suramitr|2020|Acta Crystallogr.,Sect.E:Cryst.Commun.|76|1027|doi:10.1107/S2056989020007197
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.cc25bsp0
title: CCDC 2006372: Experimental Crystal Structure Determination

description: Related Article: G. V. Romanenko, G. A. Letyagin, K. Yu. Maryunina, A. S. Bogomyakov, S. Nishihara, K. Inoue, V. I. Ovcharenkoalina Romanenko|2020|CSD Communication|||
description: Related Article: G.V.Romanenko, G.A.Letyagin, K.Yu.Maryunina, A.S.Bogomyakov, S.Nishihara, K.Inoue, V.I.Ovcharenko|2020|Izv.Akad.Nauk SSSR,Ser.Khim.|69|1530|doi:10.1007/s11172-020-2932-2
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.cc25bsq1
title: CCDC 2006373: Experimental Crystal Structure Determination

description: Related Article: G. V. Romanenko, G. A. Letyagin, K. Yu. Maryunina, A. S. Bogomyakov, S. Nishihara, K. Inoue, V. I. Ovcharenkoalina Romanenko|2020|CSD Communication|||
description: Related Article: G.V.Romanenko, G.A.Letyagin, K.Yu.Maryunina, A.S.Bogomyakov, S.Nishihara, K.Inoue, V.I.Ovcharenko|2020|Izv.Akad.Nauk SSSR,Ser.Khim.|69|1530|doi:10.1007/s11172-020-2932-2
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.cc25bsr2
title: CCDC 2006374: Experimental Crystal Structure Determination

description: Related Article: G. V. Romanenko, G. A. Letyagin, K. Yu. Maryunina, A. S. Bogomyakov, S. Nishihara, K. Inoue, V. I. Ovcharenkoalina Romanenko|2020|CSD Communication|||
description: Related Article: G.V.Romanenko, G.A.Letyagin, K.Yu.Maryunina, A.S.Bogomyakov, S.Nishihara, K.Inoue, V.I.Ovcharenko|2020|Izv.Akad.Nauk SSSR,Ser.Khim.|69|1530|doi:10.1007/s11172-020-2932-2
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.cc25bss3
title: CCDC 2006375: Experimental Crystal Structure Determination

description: Related Article: G. V. Romanenko, G. A. Letyagin, K. Yu. Maryunina, A. S. Bogomyakov, S. Nishihara, K. Inoue, V. I. Ovcharenkoalina Romanenko|2020|CSD Communication|||
description: Related Article: G.V.Romanenko, G.A.Letyagin, K.Yu.Maryunina, A.S.Bogomyakov, S.Nishihara, K.Inoue, V.I.Ovcharenko|2020|Izv.Akad.Nauk SSSR,Ser.Khim.|69|1530|doi:10.1007/s11172-020-2932-2
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.cc25bst4
title: CCDC 2006376: Experimental Crystal Structure Determination

description: Related Article: G. V. Romanenko, G. A. Letyagin, K. Yu. Maryunina, A. S. Bogomyakov, S. Nishihara, K. Inoue, V. I. Ovcharenkoalina Romanenko|2020|CSD Communication|||
description: Related Article: G.V.Romanenko, G.A.Letyagin, K.Yu.Maryunina, A.S.Bogomyakov, S.Nishihara, K.Inoue, V.I.Ovcharenko|2020|Izv.Akad.Nauk SSSR,Ser.Khim.|69|1530|doi:10.1007/s11172-020-2932-2
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.cc25bsv5
title: CCDC 2006377: Experimental Crystal Structure Determination

description: Related Article: G. V. Romanenko, G. A. Letyagin, K. Yu. Maryunina, A. S. Bogomyakov, S. Nishihara, K. Inoue, V. I. Ovcharenkoalina Romanenko|2020|CSD Communication|||
description: Related Article: G.V.Romanenko, G.A.Letyagin, K.Yu.Maryunina, A.S.Bogomyakov, S.Nishihara, K.Inoue, V.I.Ovcharenko|2020|Izv.Akad.Nauk SSSR,Ser.Khim.|69|1530|doi:10.1007/s11172-020-2932-2
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.cc25bsw6
title: CCDC 2006378: Experimental Crystal Structure Determination

description: Related Article: G. V. Romanenko, G. A. Letyagin, K. Yu. Maryunina, A. S. Bogomyakov, S. Nishihara, K. Inoue, V. I. Ovcharenkoalina Romanenko|2020|CSD Communication|||
description: Related Article: G.V.Romanenko, G.A.Letyagin, K.Yu.Maryunina, A.S.Bogomyakov, S.Nishihara, K.Inoue, V.I.Ovcharenko|2020|Izv.Akad.Nauk SSSR,Ser.Khim.|69|1530|doi:10.1007/s11172-020-2932-2
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.cc25bsx7
title: CCDC 2006379: Experimental Crystal Structure Determination

description: Related Article: G. V. Romanenko, G. A. Letyagin, K. Yu. Maryunina, A. S. Bogomyakov, S. Nishihara, K. Inoue, V. I. Ovcharenkoalina Romanenko|2020|CSD Communication|||
description: Related Article: G.V.Romanenko, G.A.Letyagin, K.Yu.Maryunina, A.S.Bogomyakov, S.Nishihara, K.Inoue, V.I.Ovcharenko|2020|Izv.Akad.Nauk SSSR,Ser.Khim.|69|1530|doi:10.1007/s11172-020-2932-2
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.cc25bsy8
title: CCDC 2006380: Experimental Crystal Structure Determination

description: Related Article: G. V. Romanenko, G. A. Letyagin, K. Yu. Maryunina, A. S. Bogomyakov, S. Nishihara, K. Inoue, V. I. Ovcharenkoalina Romanenko|2020|CSD Communication|||
description: Related Article: G.V.Romanenko, G.A.Letyagin, K.Yu.Maryunina, A.S.Bogomyakov, S.Nishihara, K.Inoue, V.I.Ovcharenko|2020|Izv.Akad.Nauk SSSR,Ser.Khim.|69|1530|doi:10.1007/s11172-020-2932-2
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.cc25bsz9
title: CCDC 2006381: Experimental Crystal Structure Determination

description: Related Article: G. V. Romanenko, G. A. Letyagin, K. Yu. Maryunina, A. S. Bogomyakov, S. Nishihara, K. Inoue, V. I. Ovcharenkoalina Romanenko|2020|CSD Communication|||
description: Related Article: G.V.Romanenko, G.A.Letyagin, K.Yu.Maryunina, A.S.Bogomyakov, S.Nishihara, K.Inoue, V.I.Ovcharenko|2020|Izv.Akad.Nauk SSSR,Ser.Khim.|69|1530|doi:10.1007/s11172-020-2932-2
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.cc25bt0c
title: CCDC 2006382: Experimental Crystal Structure Determination

description: Related Article: G. V. Romanenko, G. A. Letyagin, K. Yu. Maryunina, A. S. Bogomyakov, S. Nishihara, K. Inoue, V. I. Ovcharenkoalina Romanenko|2020|CSD Communication|||
description: Related Article: G.V.Romanenko, G.A.Letyagin, K.Yu.Maryunina, A.S.Bogomyakov, S.Nishihara, K.Inoue, V.I.Ovcharenko|2020|Izv.Akad.Nauk SSSR,Ser.Khim.|69|1530|doi:10.1007/s11172-020-2932-2
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.cc25bt1d
title: CCDC 2006383: Experimental Crystal Structure Determination

description: Related Article: G. V. Romanenko, G. A. Letyagin, K. Yu. Maryunina, A. S. Bogomyakov, S. Nishihara, K. Inoue, V. I. Ovcharenkoalina Romanenko|2020|CSD Communication|||
description: Related Article: G.V.Romanenko, G.A.Letyagin, K.Yu.Maryunina, A.S.Bogomyakov, S.Nishihara, K.Inoue, V.I.Ovcharenko|2020|Izv.Akad.Nauk SSSR,Ser.Khim.|69|1530|doi:10.1007/s11172-020-2932-2
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: 10.21227/qpah-tg29
title: "A Benchmark Dataset of Curated Gene-Disease Association Queries for Scientific Knowledge Discovery"

description: "This dataset provides a curated benchmark of 50 research queries focused on gene-disease associations, designed to evaluate the capabilities of automated scientific knowledge discovery systems, particularly those using Large Language Models (LLMs). Each query targets a distinct human gene selected from the HUGO Gene Nomenclature Committee (HGNC) database and is framed as a comprehensive research question requiring deep synthesis of information (e.g., \"Provide a comprehensive overview of the diseases and phenotypes associated with the HBB gene...\"). The genes span four categories representing varying levels of information availability and complexity: Common\/Well-Studied, Cancer-Related, Male Fertility-Related, and Rare Diseases. This benchmark enables standardized evaluation of system performance across dimensions like knowledge recall, information depth, and the ability to uncover non-obvious or rare associations, facilitating the development and comparison of advanced scientific search and synthesis tools."
DOI: 10.5517/ccdc.csd.cc25btbp
title: CCDC 2006392: Experimental Crystal Structure Determination

description: Related Article: Ioannis Tiritiris, Kevin U. Bareiß, Thomas Schleid|2020|Z.Naturforsch.,B:Chem.Sci.|75|777|doi:10.1515/znb-2020-0096
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.cc25bx1h
title: CCDC 2006476: Experimental Crystal Structure Determination

description: Related Article: Ioannis Tiritiris, Kevin U. Bareiß, Thomas Schleid|2020|Z.Naturforsch.,B:Chem.Sci.|75|777|doi:10.1515/znb-2020-0096
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.cc25bs3f
title: CCDC 2006354: Experimental Crystal Structure Determination

description: Related Article: Ioannis Tiritiris, Kevin U. Bareiß, Thomas Schleid|2020|Z.Naturforsch.,B:Chem.Sci.|75|777|doi:10.1515/znb-2020-0096
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.cc25bx2j
title: CCDC 2006477: Experimental Crystal Structure Determination

description: Related Article: Ioannis Tiritiris, Kevin U. Bareiß, Thomas Schleid|2020|Z.Naturforsch.,B:Chem.Sci.|75|777|doi:10.1515/znb-2020-0096
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.cc25btp1
title: CCDC 2006403: Experimental Crystal Structure Determination

description: Related Article: Ting-Ting Zang, Jia-Peng Cao, Ze-Yu Du, Hua Mei, Yan Xu|2020|J.Coord.Chem.|73|2763|doi:10.1080/00958972.2020.1827144
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.cc25btq2
title: CCDC 2006404: Experimental Crystal Structure Determination

description: Related Article: Ting-Ting Zang, Jia-Peng Cao, Ze-Yu Du, Hua Mei, Yan Xu|2020|J.Coord.Chem.|73|2763|doi:10.1080/00958972.2020.1827144
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.cc25bx3k
title: CCDC 2006478: Experimental Crystal Structure Determination

description: Related Article: Li-Jun Qiu, Chen-Lan Lin, Chao-Yue Chen, Xin Wang, Ting-Hai Yang|2020|Inorg.Chem.Commun.|119|108123|doi:10.1016/j.inoche.2020.108123
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.cc25bx4l
title: CCDC 2006479: Experimental Crystal Structure Determination

description: Related Article: Li-Jun Qiu, Chen-Lan Lin, Chao-Yue Chen, Xin Wang, Ting-Hai Yang|2020|Inorg.Chem.Commun.|119|108123|doi:10.1016/j.inoche.2020.108123
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.cc25bw5l
title: CCDC 2006449: Experimental Crystal Structure Determination

description: Related Article: Kun Zhou, Hong-Yan Hao, Yang-Jie Mao, Qiu-Zi Wu, Lei Chen, Shuang Wang, Wu Jin, Zhen-Yuan Xu, Shao-Jie Lou, Dan-Qian Xu|2021|ACS Sustain.Chem.Eng.|9|4433|doi:10.1021/acssuschemeng.0c08201
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.cc25bw6m
title: CCDC 2006450: Experimental Crystal Structure Determination

description: Related Article: Julien Lalut, Hugo Payan, Audrey Davis, Cédric Lecoutey, Rémi Legay, Jana Sopkova-de Oliveira Santos, Sylvie Claeysen, Patrick Dallemagne, Christophe Rochais|2020|Scientific Reports|10|3014|doi:10.1038/s41598-020-59805-7
description: Related Article: Julien Lalut, Hugo Payan, Audrey Davis, Cédric Lecoutey, Rémi Legay, Jana Sopkova-de Oliveira Santos, Sylvie Claeysen, Patrick Dallemagne, Christophe Rochais|2020|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.cc25bw7n
title: CCDC 2006451: Experimental Crystal Structure Determination

description: Related Article: Julien Lalut, Hugo Payan, Audrey Davis, Cédric Lecoutey, Rémi Legay, Jana Sopkova-de Oliveira Santos, Sylvie Claeysen, Patrick Dallemagne, Christophe Rochais|2020|Scientific Reports|10|3014|doi:10.1038/s41598-020-59805-7
description: Related Article: Julien Lalut, Hugo Payan, Audrey Davis, Cédric Lecoutey, Rémi Legay, Jana Sopkova-de Oliveira Santos, Sylvie Claeysen, Patrick Dallemagne, Christophe Rochais|2020|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.cc25bw8p
title: CCDC 2006452: Experimental Crystal Structure Determination

description: Related Article: Julien Lalut, Hugo Payan, Audrey Davis, Cédric Lecoutey, Rémi Legay, Jana Sopkova-de Oliveira Santos, Sylvie Claeysen, Patrick Dallemagne, Christophe Rochais|2020|Scientific Reports|10|3014|doi:10.1038/s41598-020-59805-7
description: Related Article: Julien Lalut, Hugo Payan, Audrey Davis, Cédric Lecoutey, Rémi Legay, Jana Sopkova-de Oliveira Santos, Sylvie Claeysen, Patrick Dallemagne, Christophe Rochais|2020|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.cc25bw9q
title: CCDC 2006453: Experimental Crystal Structure Determination

description: Related Article: Julien Lalut, Hugo Payan, Audrey Davis, Cédric Lecoutey, Rémi Legay, Jana Sopkova-de Oliveira Santos, Sylvie Claeysen, Patrick Dallemagne, Christophe Rochais|2020|Scientific Reports|10|3014|doi:10.1038/s41598-020-59805-7
description: Related Article: Julien Lalut, Hugo Payan, Audrey Davis, Cédric Lecoutey, Rémi Legay, Jana Sopkova-de Oliveira Santos, Sylvie Claeysen, Patrick Dallemagne, Christophe Rochais|2020|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.cc25bwbr
title: CCDC 2006454: Experimental Crystal Structure Determination

description: Related Article: Julien Lalut, Hugo Payan, Audrey Davis, Cédric Lecoutey, Rémi Legay, Jana Sopkova-de Oliveira Santos, Sylvie Claeysen, Patrick Dallemagne, Christophe Rochais|2020|Scientific Reports|10|3014|doi:10.1038/s41598-020-59805-7
description: Related Article: Julien Lalut, Hugo Payan, Audrey Davis, Cédric Lecoutey, Rémi Legay, Jana Sopkova-de Oliveira Santos, Sylvie Claeysen, Patrick Dallemagne, Christophe Rochais|2020|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.