Information card for entry 4032571

Structure parameters

• Formula: C30 H26 O4
• Calculated formula: C30 H26 O4
• SMILES: c12c(cccc1)O[C@H]([C@@H]2[C@@H]1c2c(cccc2)O[C@H]1c1ccc(cc1)OC)c1ccc(cc1)OC.c12c(cccc1)O[C@@H]([C@H]2[C@H]1c2c(cccc2)O[C@@H]1c1ccc(cc1)OC)c1ccc(cc1)OC
• Title of publication: Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.
• Authors of publication: Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 12
• Pages of publication: 6172 - 6191
• a: 18.9139 ± 0.0002 Å
• b: 14.1757 ± 0.0002 Å
• c: 17.3955 ± 0.0002 Å
• α: 90°
• β: 93.736 ± 0.001°
• γ: 90°
• Cell volume: 4654.13 ± 0.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No