Information card for entry 7101805

Structure parameters

• Formula: C34 H37 N2 O5 P
• Calculated formula: C34 H37 N2 O5 P
• SMILES: P(=O)(N([C@@H]([C@H](C(=O)Nc1ccc(OC)cc1)C)c1ccccc1)C(=O)OC(C)(C)C)(c1ccccc1)c1ccccc1.P(=O)(N([C@H]([C@@H](C(=O)Nc1ccc(OC)cc1)C)c1ccccc1)C(=O)OC(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Direct-type catalytic Mannich reactions of amides with imines.
• Authors of publication: Saito, Susumu; Tsubogo, Tetsu; Kobayashi, Shū
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 12
• Pages of publication: 1236 - 1237
• a: 13.1876 ± 0.0006 Å
• b: 18.687 ± 0.0011 Å
• c: 13.8546 ± 0.0007 Å
• α: 90°
• β: 115.039 ± 0.0014°
• γ: 90°
• Cell volume: 3093.4 ± 0.3 ų
• Cell temperature: 99.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.413
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No