Information card for entry 4129451

Structure parameters

• Formula: C35 H38 O3
• Calculated formula: C35 H38 O3
• SMILES: c1(ccc(cc1)c1cc(C(C)(C)C)cc2c1Oc1c(C2(C)C)cc(C(C)(C)C)cc1c1ccc(cc1)O)O
• Title of publication: Modulation of Phenol Oxidation in Cofacial Dyads.
• Authors of publication: Koo, Bon Jun; Huynh, Michael; Halbach, Robert L.; Stubbe, JoAnne; Nocera, Daniel G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 37
• Pages of publication: 11860 - 11863
• a: 10.0579 ± 0.0015 Å
• b: 25.425 ± 0.004 Å
• c: 22.169 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5669.1 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1323
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No