Information card for entry 2215821

Structure parameters

• Chemical name: (<i>Z</i>)-2,5-Dimethyl-3,4-diphenylhex-3-ene-2,5-diol
• Formula: C20 H24 O2
• Calculated formula: C20 H24 O2
• SMILES: OC(C(=C(/c1ccccc1)C(O)(C)C)/c1ccccc1)(C)C
• Title of publication: (<i>Z</i>)-2,5-Dimethyl-3,4-diphenylhex-3-ene-2,5-diol
• Authors of publication: Li, Shu-Hong; Xu, Cai-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4200 - o4200
• a: 12.364 ± 0.003 Å
• b: 16.826 ± 0.004 Å
• c: 8.77 ± 0.002 Å
• α: 90°
• β: 108.682 ± 0.005°
• γ: 90°
• Cell volume: 1728.4 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes