Information card for entry 2019952

Structure parameters

• Chemical name: Triphenyl(3,4,5-trimethoxybenzyl)phosphonium chloride monohydrate
• Formula: C28 H30 Cl O4 P
• Calculated formula: C28 H30 Cl O4 P
• SMILES: [P+](Cc1c(cc(c(c1)OC)OC)OC)(c1ccccc1)(c1ccccc1)c1ccccc1.O.[Cl-]
• 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: 14.566 ± 0.0004 Å
• b: 15.8567 ± 0.0003 Å
• c: 11.0472 ± 0.0003 Å
• α: 90°
• β: 104.872 ± 0.003°
• γ: 90°
• Cell volume: 2466.08 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0477
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes