Information card for entry 4029392

Structure parameters

• Formula: C32 H26 Br2 O4
• Calculated formula: C32 H26 Br2 O4
• SMILES: Brc1c(cc2c(c1)c(c1ccc(cc1)OC)c(c(c2Br)c1ccc(cc1)OC)c1ccc(cc1)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: 9.8125 ± 0.0008 Å
• b: 11.0615 ± 0.0008 Å
• c: 13.6335 ± 0.001 Å
• α: 70.815 ± 0.005°
• β: 78.876 ± 0.005°
• γ: 81.967 ± 0.005°
• Cell volume: 1366.69 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2137
• Residual factor for significantly intense reflections: 0.1172
• Weighted residual factors for significantly intense reflections: 0.2944
• Weighted residual factors for all reflections included in the refinement: 0.3326
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No