Information card for entry 4029407

Structure parameters

• Formula: C34 H34 O6
• Calculated formula: C34 H34 O6
• SMILES: c12cc(cc(c1[C@@H]([C@@H]1[C@H]2[C@@H](c2ccc(cc2)OC)c2c1cc(cc2OC)OC)c1ccc(cc1)OC)OC)OC.c12cc(cc(c1[C@H]([C@H]1[C@@H]2[C@H](c2ccc(cc2)OC)c2c1cc(cc2OC)OC)c1ccc(cc1)OC)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: 10.3767 ± 0.0002 Å
• b: 12.3787 ± 0.0003 Å
• c: 21.9131 ± 0.0005 Å
• α: 87.931 ± 0.002°
• β: 84.966 ± 0.002°
• γ: 88.166 ± 0.002°
• Cell volume: 2800.88 ± 0.11 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: 0.1149
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No