Information card for entry 4029395

Structure parameters

• Formula: C36 H38 O8
• Calculated formula: C36 H38 O8
• SMILES: c1(cc(c(cc1)OC)OC)[C@H]1[C@@H]2c3cc(c(cc3[C@@H](c3cc(c(cc3)OC)OC)[C@@H]2c2cc(c(cc12)OC)OC)OC)OC.c1(cc(c(cc1)OC)OC)[C@@H]1[C@H]2c3cc(c(cc3[C@H](c3cc(c(cc3)OC)OC)[C@H]2c2cc(c(cc12)OC)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: 14.3696 ± 0.0006 Å
• b: 24.357 ± 0.001 Å
• c: 8.882 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3108.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No