Information card for entry 4121282

Structure parameters

• Formula: C75 H76 Cl19.25 N4 O11.75 P
• Calculated formula: C75 H76 Cl19.25 N4 O11.75 P
• 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: 15.3011 ± 0.0017 Å
• b: 19.814 ± 0.002 Å
• c: 30.622 ± 0.003 Å
• α: 73.074 ± 0.004°
• β: 89.875 ± 0.004°
• γ: 86.771 ± 0.004°
• Cell volume: 8866.6 ± 1.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2236
• Residual factor for significantly intense reflections: 0.1446
• Weighted residual factors for significantly intense reflections: 0.3008
• Weighted residual factors for all reflections included in the refinement: 0.3392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No