Information card for entry 4029387

Structure parameters

• Formula: C32 H30 O4
• Calculated formula: C32 H30 O4
• SMILES: O(C)c1c(C2=Cc3c([C@H]([C@@H]2c2ccccc2OC)c2ccc(OC)cc2)ccc(OC)c3)cccc1.O(C)c1c(C2=Cc3c([C@@H]([C@H]2c2ccccc2OC)c2ccc(OC)cc2)ccc(OC)c3)cccc1
• 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: 9.568 ± 0.0001 Å
• b: 9.0894 ± 0.0001 Å
• c: 28.1687 ± 0.0004 Å
• α: 90°
• β: 95.888 ± 0.001°
• γ: 90°
• Cell volume: 2436.83 ± 0.05 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: 0.0906
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No