cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/qpkoborkphrbps-uhfffaoysa-n.6
title: bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
title: InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2, and canonical SMILES descriptor[cheminf_000007]: OCCOC(=O)c1ccc(cc1)C(=O)OCCO, and by the IUPAC name[cheminf_000107]: bis(2-hydroxyethyl) benzene-1,4-dicarboxylate.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-50639

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/sa-fuhff-uhfffadpsc-ydjzxhzrxd-uhfffadpsc-nuhff-nuhff-nuhff-zzz/chmo0000593.2
title: 1H nuclear magnetic resonance spectroscopy (1H NMR)
title: reaction/SA-FUHFF-UHFFFADPSC-YDJZXHZRXD-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/sa-fuhff-uhfffadpsc-lzclxqdlbq-uhfffadpsc-nuhff-nuhff-nuhff-zzz/chmo0000593.2
title: 1H nuclear magnetic resonance spectroscopy (1H NMR)
title: reaction/SA-FUHFF-UHFFFADPSC-LZCLXQDLBQ-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.5281/zenodo.17463548
title: Supporting Information: Neural Network-based Simulations of Solid Electrolyte Interfaces

description: Training data, input files and validation metrics for the article "Neural Network-based Simulations of Solid Electrolyte Interfaces"
description: This work is part of the project CNS2023-144785, funded by MICIU/AEI/10.13039/501100011033 and the European Union “NextGenerationEU”/PRTR. Moreover, this work was funded by the Xunta de Galicia (GRC ED431C 2024/06). This work was done within the framework of project HI$\_$MOV – “Corredor Tecnológico Transfronterizo de Movilidad con Hidrógeno Renovable”, with reference 0160$\_$HI$\_$MOV$\_$1$\_$E, co-financed by the European Regional Development fund (ERDF), in the scope of Interreg VI A Spain – Portugal Cooperation Program (POCTEP) 2021-2027. M. O. L. thanks the Xunta de Galicia for his ``Axudas de apoio á etapa predoutoral" grant (ED481A 2022/236). H. M. C. and R. L. C. acknowledge their contracts under the framework of the project CNS2023-144785, funded by MICIU/AEI /10.13039/501100011033 and the European Union “NextGenerationEU”/PRTR. A. M. R. thanks the Ministry of Science, Innovation and Universities for his FPU23/02994 grant. This publication and the contract of T. M. M. are part of the grant RYC2022-036679-I, funded by MICIU/AEI/10.13039/501100011033 and FSE+.
DOI: 10.5281/zenodo.17463549
title: Supporting Information: Neural Network-based Simulations of Solid Electrolyte Interfaces

description: Training data, input files and validation metrics for the article "Neural Network-based Simulations of Solid Electrolyte Interfaces"
description: This work is part of the project CNS2023-144785, funded by MICIU/AEI/10.13039/501100011033 and the European Union “NextGenerationEU”/PRTR. Moreover, this work was funded by the Xunta de Galicia (GRC ED431C 2024/06). This work was done within the framework of project HI$\_$MOV – “Corredor Tecnológico Transfronterizo de Movilidad con Hidrógeno Renovable”, with reference 0160$\_$HI$\_$MOV$\_$1$\_$E, co-financed by the European Regional Development fund (ERDF), in the scope of Interreg VI A Spain – Portugal Cooperation Program (POCTEP) 2021-2027. M. O. L. thanks the Xunta de Galicia for his ``Axudas de apoio á etapa predoutoral" grant (ED481A 2022/236). H. M. C. and R. L. C. acknowledge their contracts under the framework of the project CNS2023-144785, funded by MICIU/AEI /10.13039/501100011033 and the European Union “NextGenerationEU”/PRTR. A. M. R. thanks the Ministry of Science, Innovation and Universities for his FPU23/02994 grant. This publication and the contract of T. M. M. are part of the grant RYC2022-036679-I, funded by MICIU/AEI/10.13039/501100011033 and FSE+.
DOI: 10.14272/lzclxqdlbqltdk-uhfffaoysa-n.3
title: ethyl 2-hydroxypropanoate
title: InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: CCOC(=O)C(O)C, and by the IUPAC name[cheminf_000107]: ethyl 2-hydroxypropanoate.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-50655

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 154.0 (°C)
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/lzclxqdlbqltdk-uhfffaoysa-n/chmo0000593.2
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (ethyl 2-hydroxypropanoate)
title: InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/qpkoborkphrbps-uhfffaoysa-n/chmo0000593.8
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (bis(2-hydroxyethyl) benzene-1,4-dicarboxylate)
title: InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/qpkoborkphrbps-uhfffaoysa-n.9
title: bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
title: InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2, and canonical SMILES descriptor[cheminf_000007]: OCCOC(=O)c1ccc(cc1)C(=O)OCCO, and by the IUPAC name[cheminf_000107]: bis(2-hydroxyethyl) benzene-1,4-dicarboxylate.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-50674

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.15468/dl.v283jy
title: Occurrence Download

description: A dataset containing 1988 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Europe",
 "OccurrenceStatus is Present",
 "TaxonKey is Oribatidae"
 ]
}

 The dataset includes 1988 records from 37 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004445-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc4fdjg
title: CCDC 132045: Experimental Crystal Structure Determination

description: Related Article: S.Fukushima, Y.Ito, H.Hosomi, S.Ohba|1998|Acta Crystallogr.,Sect.B:Struct.Sci.|54|895|doi:10.1107/S0108768198005515
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/cc4fdkh
title: CCDC 132046: Experimental Crystal Structure Determination

description: Related Article: S.Fukushima, Y.Ito, H.Hosomi, S.Ohba|1998|Acta Crystallogr.,Sect.B:Struct.Sci.|54|895|doi:10.1107/S0108768198005515
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/cc4fdlj
title: CCDC 132047: Experimental Crystal Structure Determination

description: Related Article: S.Fukushima, Y.Ito, H.Hosomi, S.Ohba|1998|Acta Crystallogr.,Sect.B:Struct.Sci.|54|895|doi:10.1107/S0108768198005515
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/cc4fdnl
title: CCDC 132049: Experimental Crystal Structure Determination

description: Related Article: S.Fukushima, Y.Ito, H.Hosomi, S.Ohba|1998|Acta Crystallogr.,Sect.B:Struct.Sci.|54|895|doi:10.1107/S0108768198005515
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/cc4fdpm
title: CCDC 132050: Experimental Crystal Structure Determination

description: Related Article: S.Fukushima, Y.Ito, H.Hosomi, S.Ohba|1998|Acta Crystallogr.,Sect.B:Struct.Sci.|54|895|doi:10.1107/S0108768198005515
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/cc4fdqn
title: CCDC 132051: Experimental Crystal Structure Determination

description: Related Article: S.Fukushima, Y.Ito, H.Hosomi, S.Ohba|1998|Acta Crystallogr.,Sect.B:Struct.Sci.|54|895|doi:10.1107/S0108768198005515
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/cc4fdrp
title: CCDC 132052: Experimental Crystal Structure Determination

description: Related Article: S.Fukushima, Y.Ito, H.Hosomi, S.Ohba|1998|Acta Crystallogr.,Sect.B:Struct.Sci.|54|895|doi:10.1107/S0108768198005515
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: 10.15468/dl.g3mhrv
title: Occurrence Download

description: A dataset containing 279 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Mitsukurina owstoni"
 ]
}

 The dataset includes 279 records from 54 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004571-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc4hvl1
title: CCDC 134403: Experimental Crystal Structure Determination

description: Related Article: T.L.Arrowood, S.R.Kass|1999|Tetrahedron|55|6739|doi:10.1016/S0040-4020(99)00276-8
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/cc4jlmv
title: CCDC 135117: Experimental Crystal Structure Determination

description: Related Article: P.Camps, J.Contreras, J.Morral, D.Munoz-Torrero, M.Font-Bardia, X.Solans|1999|Tetrahedron|55|8481|doi:10.1016/S0040-4020(99)00434-2
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/cc3gdkh
title: CCDC 103216: Experimental Crystal Structure Determination

description: Related Article: J.Clariana, N.Galvez, C.Marchi, M.Moreno-Manas, A.Vallribera, E.Molins|1999|Tetrahedron|55|7331|doi:10.1016/S0040-4020(99)00358-0
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/cc3tk2j
title: CCDC 113927: Experimental Crystal Structure Determination

description: Related Article: F.Faigl, K.Fogassy, E.Szucs, K.Kovacs, G.M.Keseru, V.Harmat, Z.Bocskei, L.Toke|1999|Tetrahedron|55|7881|doi:10.1016/S0040-4020(99)00398-1
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4g1n8
title: CCDC 132669: Experimental Crystal Structure Determination

description: Related Article: J.Kohno, M.Nishio, M.Sakurai, K.Kawano, H.Hiramatsu, N.Kameda, N.Kishi, T.Yamashita, T.Okuda, S.Komatsubara|1999|Tetrahedron|55|7771|doi:10.1016/S0040-4020(99)00408-1
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc3tk3k
title: CCDC 113928: Experimental Crystal Structure Determination

description: Related Article: F.Faigl, K.Fogassy, E.Szucs, K.Kovacs, G.M.Keseru, V.Harmat, Z.Bocskei, L.Toke|1999|Tetrahedron|55|7881|doi:10.1016/S0040-4020(99)00398-1
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc3z2mr
title: CCDC 118284: Experimental Crystal Structure Determination

description: Related Article: R.G.Khoury, L.Jaquinod, R.Paolesse, K.M.Smith|1999|Tetrahedron|55|6713|doi:10.1016/S0040-4020(99)00319-1
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc3z2ns
title: CCDC 118285: Experimental Crystal Structure Determination

description: Related Article: R.G.Khoury, L.Jaquinod, R.Paolesse, K.M.Smith|1999|Tetrahedron|55|6713|doi:10.1016/S0040-4020(99)00319-1
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc3j82y
title: CCDC 104999: Experimental Crystal Structure Determination

description: Related Article: M.Mazik, D.Blaser, R.Boese|1999|Tetrahedron|55|7835|doi:10.1016/S0040-4020(99)00413-5
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/cc3z2lq
title: CCDC 118283: Experimental Crystal Structure Determination

description: Related Article: R.G.Khoury, L.Jaquinod, R.Paolesse, K.M.Smith|1999|Tetrahedron|55|6713|doi:10.1016/S0040-4020(99)00319-1
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4j4pg
title: CCDC 134685: Experimental Crystal Structure Determination

description: Related Article: P.Magnus, N.Westwood, M.Spyvee, C.Frost, P.Linnane, F.Tavares, V.Lynch|1999|Tetrahedron|55|6435|doi:10.1016/S0040-4020(99)00305-1
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4j4qh
title: CCDC 134686: Experimental Crystal Structure Determination

description: Related Article: P.Magnus, N.Westwood, M.Spyvee, C.Frost, P.Linnane, F.Tavares, V.Lynch|1999|Tetrahedron|55|6435|doi:10.1016/S0040-4020(99)00305-1
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc48kgd
title: CCDC 127393: Experimental Crystal Structure Determination

description: Related Article: M.McCarthy, R.Goddard, P.J.Guiry|1999|Tetrahedron:Asymm.|10|2797|doi:10.1016/S0957-4166(99)00283-9
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/cc4j4rj
title: CCDC 134687: Experimental Crystal Structure Determination

description: Related Article: P.Magnus, N.Westwood, M.Spyvee, C.Frost, P.Linnane, F.Tavares, V.Lynch|1999|Tetrahedron|55|6435|doi:10.1016/S0040-4020(99)00305-1
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4j43w
title: CCDC 134667: Experimental Crystal Structure Determination

description: Related Article: M.C.R.Franssen, H.Jongejan, H.Kooijman, A.L.Spek, R.P.L.Bell, J.B.P.A.Wijnberg, A.de Groot|1999|Tetrahedron:Asymm.|10|2729|doi:10.1016/S0957-4166(99)00284-0
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.