Information card for entry 4029390

Structure parameters

• Formula: C34 H38 N2 O3
• Calculated formula: C34 H38 N2 O3
• SMILES: O(c1ccc([C@@H]2[C@@H](c3ccc(OC)cc3)[C@@H](O[C@H]2c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1)C.O(c1ccc([C@H]2[C@H](c3ccc(OC)cc3)[C@H](O[C@@H]2c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1)C
• 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: 21.8256 ± 0.001 Å
• b: 10.1693 ± 0.0004 Å
• c: 25.5637 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5673.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1759
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.2146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No