Information card for entry 4111358

Structure parameters

• Common name: (M,S)-3a
• Formula: C41 H54 Cl N4 O3 P
• Calculated formula: C41 H51 Cl N4 O3 P
• Title of publication: Chiral Tetraaminophosphonium Salt-Mediated Asymmetric Direct Henry Reaction
• Authors of publication: Daisuke Uraguchi; Sawako Sakaki; Takashi Ooi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12392 - 12393
• a: 11.0044 ± 0.0006 Å
• b: 16.4067 ± 0.001 Å
• c: 11.104 ± 0.0007 Å
• α: 90°
• β: 95.425 ± 0.001°
• γ: 90°
• Cell volume: 1995.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No