cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc27fgcj
title: CCDC 2068517: Experimental Crystal Structure Determination

description: Related Article: Martin Piesch, Stephan Reichl, Michael Seidl, Gábor Balázs, Manfred Scheer|2021|Angew.Chem.,Int.Ed.|60|15101|doi:10.1002/anie.202103683
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.cc27fgfl
title: CCDC 2068519: Experimental Crystal Structure Determination

description: Related Article: Martin Piesch, Stephan Reichl, Michael Seidl, Gábor Balázs, Manfred Scheer|2021|Angew.Chem.,Int.Ed.|60|15101|doi:10.1002/anie.202103683
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.cc27gcz2
title: CCDC 2069404: Experimental Crystal Structure Determination

description: Related Article: Andre Mähringer, Markus Döblinger, Matthias Hennemann, Christoph Gruber, Dominik Fehn, Patricia I. Scheurle, Pouya Hosseini, Irina Santourian, Alfred Schirmacher, Julian M. Rotter, Gunther Wittstock, Karsten Meyer, Timothy Clark, Thomas Bein, Dana D Medina|2021|Angew.Chem.,Int.Ed.|60|18065|doi:10.1002/anie.202102670
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27hgcl
title: CSD 2070439: Experimental Crystal Structure Determination

description: Related Article: Garrett C. McKeown Wessler, Tianlin Wang, Jon-Paul Sun, Yuheng Liao, Martin C. Fischer, Volker Blum, David B. Mitzi|2021|Inorg.Chem.|60|12206|doi:10.1021/acs.inorgchem.1c01416
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27hgdm
title: CSD 2070440: Experimental Crystal Structure Determination

description: Related Article: Garrett C. McKeown Wessler, Tianlin Wang, Jon-Paul Sun, Yuheng Liao, Martin C. Fischer, Volker Blum, David B. Mitzi|2021|Inorg.Chem.|60|12206|doi:10.1021/acs.inorgchem.1c01416
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27hgfn
title: CSD 2070441: Experimental Crystal Structure Determination

description: Related Article: Garrett C. McKeown Wessler, Tianlin Wang, Jon-Paul Sun, Yuheng Liao, Martin C. Fischer, Volker Blum, David B. Mitzi|2021|Inorg.Chem.|60|12206|doi:10.1021/acs.inorgchem.1c01416
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27hy0q
title: CSD 2070893: Experimental Crystal Structure Determination

description: Related Article: Tuba Iftikhar, Natalya V. Izarova, Jan Leusen, Paul Kögerler|2021|Chem.-Eur.J.|27|13376|doi:10.1002/chem.202101474
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27hy1r
title: CSD 2070894: Experimental Crystal Structure Determination

description: Related Article: Tuba Iftikhar, Natalya V. Izarova, Jan Leusen, Paul Kögerler|2021|Chem.-Eur.J.|27|13376|doi:10.1002/chem.202101474
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27hy2s
title: CSD 2070895: Experimental Crystal Structure Determination

description: Related Article: Tuba Iftikhar, Natalya V. Izarova, Jan Leusen, Paul Kögerler|2021|Chem.-Eur.J.|27|13376|doi:10.1002/chem.202101474
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27hy3t
title: CSD 2070896: Experimental Crystal Structure Determination

description: Related Article: Tuba Iftikhar, Natalya V. Izarova, Jan Leusen, Paul Kögerler|2021|Chem.-Eur.J.|27|13376|doi:10.1002/chem.202101474
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27hy4v
title: CSD 2070897: Experimental Crystal Structure Determination

description: Related Article: Tuba Iftikhar, Natalya V. Izarova, Jan Leusen, Paul Kögerler|2021|Chem.-Eur.J.|27|13376|doi:10.1002/chem.202101474
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27hy5w
title: CSD 2070898: Experimental Crystal Structure Determination

description: Related Article: Tuba Iftikhar, Natalya V. Izarova, Jan Leusen, Paul Kögerler|2021|Chem.-Eur.J.|27|13376|doi:10.1002/chem.202101474
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27hy7y
title: CSD 2070900: Experimental Crystal Structure Determination

description: Related Article: Tuba Iftikhar, Natalya V. Izarova, Jan Leusen, Paul Kögerler|2021|Chem.-Eur.J.|27|13376|doi:10.1002/chem.202101474
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27hy8z
title: CSD 2070901: Experimental Crystal Structure Determination

description: Related Article: Tuba Iftikhar, Natalya V. Izarova, Jan Leusen, Paul Kögerler|2021|Chem.-Eur.J.|27|13376|doi:10.1002/chem.202101474
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27j2pk
title: CSD 2071038: Experimental Crystal Structure Determination

description: Related Article: Tuba Iftikhar, Natalya V. Izarova, Jan Leusen, Paul Kögerler|2021|Chem.-Eur.J.|27|13376|doi:10.1002/chem.202101474
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27jpj0
title: CSD 2071622: Experimental Crystal Structure Determination

description: Related Article: Kazumasa Miyazaki, Masayuki Ochi, Takumi Nishikubo, Jinya Suzuki, Takashi Saito, Takashi Kamiyama, Kazuhiko Kuroki, Takafumi Yamamoto, Masaki Azuma|2021|Inorg.Chem.|60|15751|doi:10.1021/acs.inorgchem.1c02399
description: Related Article: T. Yamamoto|2021|ICSD Communication|||
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27jq3m
title: CSD 2071640: Experimental Crystal Structure Determination

description: Related Article: Kazumasa Miyazaki, Masayuki Ochi, Takumi Nishikubo, Jinya Suzuki, Takashi Saito, Takashi Kamiyama, Kazuhiko Kuroki, Takafumi Yamamoto, Masaki Azuma|2021|Inorg.Chem.|60|15751|doi:10.1021/acs.inorgchem.1c02399
description: Related Article: T. Yamamoto|2021|ICSD Communication|||
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27k4wv
title: CSD 2072067: Experimental Crystal Structure Determination

description: Related Article: Alexander Ovchinnikov, Anja-Verena Mudring|2021|Inorg.Chem.|60|12158|doi:10.1021/acs.inorgchem.1c01355
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27k4xw
title: CSD 2072068: Experimental Crystal Structure Determination

description: Related Article: Alexander Ovchinnikov, Anja-Verena Mudring|2021|Inorg.Chem.|60|12158|doi:10.1021/acs.inorgchem.1c01355
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27k4yx
title: CSD 2072069: Experimental Crystal Structure Determination

description: Related Article: Alexander Ovchinnikov, Anja-Verena Mudring|2021|Inorg.Chem.|60|12158|doi:10.1021/acs.inorgchem.1c01355
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27k4zy
title: CSD 2072070: Experimental Crystal Structure Determination

description: Related Article: Alexander Ovchinnikov, Anja-Verena Mudring|2021|Inorg.Chem.|60|12158|doi:10.1021/acs.inorgchem.1c01355
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27k500
title: CSD 2072071: Experimental Crystal Structure Determination

description: Related Article: Alexander Ovchinnikov, Anja-Verena Mudring|2021|Inorg.Chem.|60|12158|doi:10.1021/acs.inorgchem.1c01355
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27l0gb
title: CSD 2072891: Experimental Crystal Structure Determination

description: Related Article: Hanlin Wu, Sheng Li, Xiqu Wang, Sunah Kwon, Wenhao Liu, Gareth A. Ofenstein, Moon J. Kim, Bing Lv|2022|J.Alloys Compd.|892|162111|doi:10.1016/j.jallcom.2021.162111
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27l0hc
title: CSD 2072892: Experimental Crystal Structure Determination

description: Related Article: Hanlin Wu, Sheng Li, Xiqu Wang, Sunah Kwon, Wenhao Liu, Gareth A. Ofenstein, Moon J. Kim, Bing Lv|2022|J.Alloys Compd.|892|162111|doi:10.1016/j.jallcom.2021.162111
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27l6xz
title: CCDC 2073091: Experimental Crystal Structure Determination

description: Related Article: Han-Ying Liu, Ryan J. Schwamm, Michael S. Hill, Mary F. Mahon, Claire L. McMullin, Nasir A. Rajabi|2021|Angew.Chem.,Int.Ed.|60|14390|doi:10.1002/anie.202104658
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.cc27l6y0
title: CCDC 2073092: Experimental Crystal Structure Determination

description: Related Article: Han-Ying Liu, Ryan J. Schwamm, Michael S. Hill, Mary F. Mahon, Claire L. McMullin, Nasir A. Rajabi|2021|Angew.Chem.,Int.Ed.|60|14390|doi:10.1002/anie.202104658
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.cc27l6z1
title: CCDC 2073093: Experimental Crystal Structure Determination

description: Related Article: Han-Ying Liu, Ryan J. Schwamm, Michael S. Hill, Mary F. Mahon, Claire L. McMullin, Nasir A. Rajabi|2021|Angew.Chem.,Int.Ed.|60|14390|doi:10.1002/anie.202104658
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.cc27l703
title: CCDC 2073094: Experimental Crystal Structure Determination

description: Related Article: Han-Ying Liu, Ryan J. Schwamm, Michael S. Hill, Mary F. Mahon, Claire L. McMullin, Nasir A. Rajabi|2021|Angew.Chem.,Int.Ed.|60|14390|doi:10.1002/anie.202104658
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27mccm
title: CSD 2074190: Experimental Crystal Structure Determination

description: Related Article: Ailijiang Abudurusuli, Junben Huang, Peng Wang, Zhihua Yang, Shilie Pan, Junjie Li|2021|Angew.Chem.,Int.Ed.|60|24131|doi:10.1002/anie.202107613
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc27l714
title: CCDC 2073095: Experimental Crystal Structure Determination

description: Related Article: Han-Ying Liu, Ryan J. Schwamm, Michael S. Hill, Mary F. Mahon, Claire L. McMullin, Nasir A. Rajabi|2021|Angew.Chem.,Int.Ed.|60|14390|doi:10.1002/anie.202104658
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc27mj1g
title: CSD 2074335: Experimental Crystal Structure Determination

description: Related Article: Stanislav Podchezertsev, Nicolas Barrier, Alain Pautrat, Emmanuelle Suard, María Retuerto, Jose Antonio Alonso, María Teresa Fernández-Díaz, Juan Rodríguez-Carvajal|2021|Inorg.Chem.|60|13990|doi:10.1021/acs.inorgchem.1c01131
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.14272/tzlifusnvcrdqa-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C28H18Cl3NO/c29-23-17-24(30)27(25(31)18-23)28(33)32(19-21-11-5-2-6-12-21)26-14-8-7-13-22(26)16-15-20-9-3-1-4-10-20/h1-14,17-18H,19H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/tzlifusnvcrdqa-uhfffaoysa-n.1
title: N-benzyl-2,4,6-trichloro-N-(2-(phenylethynyl)phenyl)benzamide
title: InChI=1S/C28H18Cl3NO/c29-23-17-24(30)27(25(31)18-23)28(33)32(19-21-11-5-2-6-12-21)26-14-8-7-13-22(26)16-15-20-9-3-1-4-10-20/h1-14,17-18H,19H2

description: This dataset contains experimental data from a sample (InChI=1S/C28H18Cl3NO/c29-23-17-24(30)27(25(31)18-23)28(33)32(19-21-11-5-2-6-12-21)26-14-8-7-13-22(26)16-15-20-9-3-1-4-10-20/h1-14,17-18H,19H2). The datasets from the following experiments are available: X-ray diffraction (XRD) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/tzlifusnvcrdqa-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C28H18Cl3NO/c29-23-17-24(30)27(25(31)18-23)28(33)32(19-21-11-5-2-6-12-21)26-14-8-7-13-22(26)16-15-20-9-3-1-4-10-20/h1-14,17-18H,19H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.26 ppm] ppm) δ = 7.64 – 7.57 (m, 2H), 7.56 – 7.51 (m, 1H), 7.45 – 7.36 (m, 3H), 7.35 – 7.19 (m, 6H), 7.19 – 7.12 (m, 1H), 7.07 – 6.99 (m, 1H), 6.96 – 6.89 (m, 2H), 6.08 (d, J = 14.3 Hz, 1H), 4.75 (d, J = 14.3 Hz, 1H). Impurities: spectrum contains an unknown impurity (probably from the starting material), water (1.58 ppm), and grease (1.26 ppm, 0.85 ppm, 0.08 ppm) signals. The yield has been adjusted accordingly.
DOI: 10.14272/tzlifusnvcrdqa-uhfffaoysa-n/chmo0000156
title: X-ray diffraction (XRD) ()
title: InChI=1S/C28H18Cl3NO/c29-23-17-24(30)27(25(31)18-23)28(33)32(19-21-11-5-2-6-12-21)26-14-8-7-13-22(26)16-15-20-9-3-1-4-10-20/h1-14,17-18H,19H2

description: dataset for X-ray diffraction (XRD)