Information card for entry 7154253

Structure parameters

• Formula: C30 H34 O10
• Calculated formula: C30 H34 O10
• SMILES: O(c1c(OC)c(OC)c2[C@@H]3O[C@@H](c4c(OC)c(OC)c(OC)cc34)c3c(c(OC)c(OC)c(OC)c3)Cc2c1)C.O(c1c(OC)c(OC)c2[C@H]3O[C@H](c4c(OC)c(OC)c(OC)cc34)c3c(c(OC)c(OC)c(OC)c3)Cc2c1)C
• Title of publication: Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.
• Authors of publication: Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 2323 - 2329
• a: 11.5941 ± 0.0013 Å
• b: 10.9801 ± 0.0012 Å
• c: 23.784 ± 0.002 Å
• α: 90°
• β: 112.074 ± 0.006°
• γ: 90°
• Cell volume: 2805.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 2.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No