Information card for entry 4034736

Structure parameters

• Formula: C32 H26 O6
• Calculated formula: C32 H26 O6
• SMILES: O1C(=O)c2ccccc2[C@@H]([C@@H]1c1ccc(OC)cc1)[C@@H]1c2c(C(=O)O[C@H]1c1ccc(OC)cc1)cccc2.O1C(=O)c2ccccc2[C@H]([C@H]1c1ccc(OC)cc1)[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: 8.2269 ± 0.0003 Å
• b: 10.6619 ± 0.0003 Å
• c: 14.678 ± 0.0004 Å
• α: 86.377 ± 0.002°
• β: 75.857 ± 0.002°
• γ: 85.172 ± 0.002°
• Cell volume: 1242.81 ± 0.07 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: 0.0522
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No