Information card for entry 4108564

Structure parameters

• Formula: C38 H49 Cl N4 O P
• Calculated formula: C38 H44 Cl N4 O P
• Title of publication: Chiral Tetraaminophosphonium Carboxylate-Catalyzed Direct Mannich-Type Reaction
• Authors of publication: Daisuke Uraguchi; Yusuke Ueki; Takashi Ooi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 14088 - 14089
• a: 12.212 ± 0.003 Å
• b: 15.543 ± 0.003 Å
• c: 19.012 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3608.7 ± 1.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No