Information card for entry 2019953

Structure parameters

• Chemical name: (<i>Z</i>)-2,2',4,4',5,5'-Hexamethoxystilbene
• Formula: C20 H24 O6
• Calculated formula: C20 H24 O6
• SMILES: C(=C\c1c(cc(c(c1)OC)OC)OC)\c1c(cc(c(c1)OC)OC)OC
• Title of publication: A sterically congested <i>cis</i>-stilbene and its phosphonium salt precursor
• Authors of publication: Shivaprakash, Shivanna; Reddy, G. Chandrasekara; Jasinski, Jerry P.; Millikan, Sean P.; Duff, Courtney E.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• a: 17.034 ± 0.0007 Å
• b: 5.0747 ± 0.0002 Å
• c: 22.6111 ± 0.001 Å
• α: 90°
• β: 110.917 ± 0.005°
• γ: 90°
• Cell volume: 1825.75 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0605
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes