Information card for entry 7154252

Structure parameters

• Formula: C27 H27 O7.5
• Calculated formula: C27 H26 O7.5
• 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: 13.2799 ± 0.0012 Å
• b: 15.4053 ± 0.0014 Å
• c: 26.172 ± 0.003 Å
• α: 90°
• β: 100.352 ± 0.002°
• γ: 90°
• Cell volume: 5267.1 ± 0.9 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No