Information card for entry 4034731

Structure parameters

• Formula: C32 H30 O4
• Calculated formula: C32 H30 O4
• SMILES: c1(ccc(OC)cc1)[C@H]1[C@H]([C@H]2[C@H](c3ccc(cc3)OC)OCc3c2cccc3)c2c(cccc2)CO1.c1(ccc(OC)cc1)[C@@H]1[C@@H]([C@@H]2[C@@H](c3ccc(cc3)OC)OCc3c2cccc3)c2c(cccc2)CO1
• 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: 22.2566 ± 0.0014 Å
• b: 5.727 ± 0.0003 Å
• c: 19.7415 ± 0.0014 Å
• α: 90°
• β: 107.042 ± 0.007°
• γ: 90°
• Cell volume: 2405.8 ± 0.3 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No