Information card for entry 4034636

Structure parameters

• Formula: C32 H28 O5
• Calculated formula: C32 H28 O5
• SMILES: O1[C@@H]2[C@@]([C@H](C(c3ccc(OC)cc3)c3ccc(OC)cc3)c3c2cccc3)(c2c([C@@H]1O)cccc2)C=O.O1[C@H]2[C@]([C@@H](C(c3ccc(OC)cc3)c3ccc(OC)cc3)c3c2cccc3)(c2c([C@H]1O)cccc2)C=O
• Title of publication: Reactions of Anodically Generated Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Vinyl and Formyl 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: 2019
• Journal volume: 84
• Journal issue: 11
• Pages of publication: 7279 - 7290
• a: 12.3322 ± 0.0006 Å
• b: 9.6323 ± 0.0005 Å
• c: 21.0939 ± 0.001 Å
• α: 90°
• β: 91.129 ± 0.003°
• γ: 90°
• Cell volume: 2505.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No