Information card for entry 4029388

Structure parameters

• Formula: C36 H38 O8
• Calculated formula: C36 H38 O8
• SMILES: c1(ccc(cc1)OC)[C@@H]([C@@H]([C@H]([C@H](c1ccc(cc1)OC)OC(=O)C)c1ccc(cc1)OC)c1ccc(cc1)OC)OC(=O)C.c1(ccc(cc1)OC)[C@H]([C@H]([C@@H]([C@@H](c1ccc(cc1)OC)OC(=O)C)c1ccc(cc1)OC)c1ccc(cc1)OC)OC(=O)C
• Title of publication: Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.
• Authors of publication: Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 10
• Pages of publication: 4528 - 4543
• a: 27.2623 ± 0.0015 Å
• b: 7.994 ± 0.0004 Å
• c: 18.8173 ± 0.001 Å
• α: 90°
• β: 130.377 ± 0.001°
• γ: 90°
• Cell volume: 3124.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No