Information card for entry 4034733

Structure parameters

• Formula: C32 H26 O6
• Calculated formula: C32 H26 O6
• SMILES: [C@@H]1([C@H](c2ccc(cc2)OC)OC(=O)c2c1cccc2)[C@@H]1c2c(C(=O)O[C@H]1c1ccc(OC)cc1)cccc2.[C@H]1([C@@H](c2ccc(cc2)OC)OC(=O)c2c1cccc2)[C@H]1c2c(C(=O)O[C@@H]1c1ccc(OC)cc1)cccc2
• 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: 7.1205 ± 0.0012 Å
• b: 12.529 ± 0.002 Å
• c: 15.466 ± 0.003 Å
• α: 78.066 ± 0.011°
• β: 78.089 ± 0.011°
• γ: 78.347 ± 0.01°
• Cell volume: 1302.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No