Information card for entry 4029394

Structure parameters

• Formula: C34 H34 O4
• Calculated formula: C34 H34 O4
• SMILES: c12cc(c(cc1[C@H](c1cc(c(cc1)OC)OC)[C@H](C(=C2)c1ccc(cc1)C)c1ccc(cc1)C)OC)OC.c12cc(c(cc1[C@@H](c1cc(c(cc1)OC)OC)[C@@H](C(=C2)c1ccc(cc1)C)c1ccc(cc1)C)OC)OC
• 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: 15.8962 ± 0.0008 Å
• b: 23.9751 ± 0.0014 Å
• c: 15.4845 ± 0.0009 Å
• α: 90°
• β: 115.677 ± 0.003°
• γ: 90°
• Cell volume: 5318.6 ± 0.5 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: 0.2732
• Residual factor for significantly intense reflections: 0.1017
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.2266
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No