Information card for entry 4032569

Structure parameters

• Formula: C32 H30 O6
• Calculated formula: C32 H30 O6
• SMILES: O1[C@@H](c2ccc(OC)c(OC)c2)[C@H]2[C@@H](c3c1cccc3)[C@@H](Oc1c2cccc1)c1cc(OC)c(OC)cc1.O1[C@H](c2ccc(OC)c(OC)c2)[C@@H]2[C@H](c3c1cccc3)[C@H](Oc1c2cccc1)c1cc(OC)c(OC)cc1
• 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: 9.2344 ± 0.0006 Å
• b: 12.8639 ± 0.0008 Å
• c: 12.9355 ± 0.0009 Å
• α: 98.362 ± 0.005°
• β: 105.308 ± 0.006°
• γ: 103.305 ± 0.006°
• Cell volume: 1407.09 ± 0.18 ų
• Cell temperature: 161 ± 1 K
• Ambient diffraction temperature: 161 ± 1 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: 0.0588
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No