Information card for entry 2016602

Structure parameters

• Common name: 20-Desmethyl-β-carotene
• Chemical name: 20-nor-β,β-carotene
• Formula: C39 H54
• Calculated formula: C39 H54
• Title of publication: Two polymorphs of 20-desmethyl-β-carotene
• Authors of publication: Helliwell, Madeleine; Liaaen-Jensen, Synnøve; Wilkinson, James
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o252 - o256
• a: 9.442 ± 0.002 Å
• b: 7.6914 ± 0.0016 Å
• c: 23.09 ± 0.005 Å
• α: 90°
• β: 93.733 ± 0.003°
• γ: 90°
• Cell volume: 1673.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1359
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes