Information card for entry 4114210

Structure parameters

• Formula: C30 H21 N2 O6 P
• Calculated formula: C30 H21 N2 O6 P
• SMILES: P1([C@@H](N2N(C(=O)c3c(C2=O)cccc3)[C@H]1c1ccccc1C(=O)O)c1c(C(=O)O)cccc1)c1ccccc1
• Title of publication: Resolved Chiral 3,4-Diazaphospholanes and Their Application to Catalytic Asymmetric Allylic Alkylation
• Authors of publication: Thomas P. Clark; Clark R. Landis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 11792 - 11793
• a: 10.9857 ± 0.0016 Å
• b: 14.119 ± 0.002 Å
• c: 16.374 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2539.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No