Information card for entry 2016502

Structure parameters

• Common name: 15-<i>cis</i>-β,β-carotene
• Chemical name: 15-<i>cis</i>-β,β-carotene
• Formula: C40 H56
• Calculated formula: C40 H56
• SMILES: CC(=C\C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C)C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C
• Title of publication: 13-<i>cis</i>-β,β-Carotene and 15-<i>cis</i>-β,β-carotene
• Authors of publication: Bartalucci, Giuditta; Delroy, Charles; Fisher, Stuart; Helliwell, Madeleine; Liaaen-Jensen, Synnøve
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o128 - o131
• a: 17.6168 ± 0.0013 Å
• b: 11.5544 ± 0.0009 Å
• c: 17.4124 ± 0.0013 Å
• α: 90°
• β: 108.084 ± 0.001°
• γ: 90°
• Cell volume: 3369.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes