Information card for entry 4121283

Structure parameters

• Formula: C63.5 H76.5 N7 O9 P1.5
• Calculated formula: C63.5 H76.5 N7 O9 P1.5
• Title of publication: Superbases in Confined Space: Control of the Basicity and Reactivity of the Proton Transfer
• Authors of publication: Bastien Chatelet; Heinz Gornitzka; Véronique Dufaud; Erwann Jeanneau; Jean-Pierre Dutasta; Alexandre Martinez
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 18659 - 18664
• a: 14.554 ± 0.008 Å
• b: 19.781 ± 0.011 Å
• c: 21.193 ± 0.013 Å
• α: 90°
• β: 109.237 ± 0.01°
• γ: 90°
• Cell volume: 5761 ± 6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0792
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No