Information card for entry 4034732

Structure parameters

• Formula: C32 H26 O6
• Calculated formula: C32 H26 O6
• SMILES: c1(ccc(cc1)OC)[C@@H]1[C@H](c2c(cccc2)C(=O)O1)[C@H]1[C@H](c2ccc(cc2)OC)OC(=O)c2c1cccc2
• Title of publication: Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.
• Authors of publication: Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 24
• Pages of publication: 15087 - 15100
• a: 9.5738 ± 0.0002 Å
• b: 7.0069 ± 0.0002 Å
• c: 18.4103 ± 0.0004 Å
• α: 90°
• β: 102.979 ± 0.001°
• γ: 90°
• Cell volume: 1203.46 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0429
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No