Information card for entry 4029405

Structure parameters

• Formula: C32 H30 O4
• Calculated formula: C32 H30 O4
• SMILES: c12cc(ccc1[C@H]([C@H]1[C@@H]2[C@H](c2ccc(cc2)OC)c2c1cc(cc2)OC)c1ccc(cc1)OC)OC.c12cc(ccc1[C@@H]([C@@H]1[C@H]2[C@@H](c2ccc(cc2)OC)c2c1cc(cc2)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: 10.2734 ± 0.0003 Å
• b: 15.6266 ± 0.0004 Å
• c: 16.2315 ± 0.0004 Å
• α: 107.797 ± 0.002°
• β: 90.011 ± 0.002°
• γ: 91.077 ± 0.002°
• Cell volume: 2480.59 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0812
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No