Information card for entry 4118933

Structure parameters

• Formula: C24 H25 N2 O4 P
• Calculated formula: C24 H25 N2 O4 P
• SMILES: P(=O)(Oc1ccccc1)(Oc1ccccc1)[C@H]1[C@H](NC(=O)c2ncccc2)CCCC1
• Title of publication: Cinchona Alkaloid Amides/Dialkylzinc Catalyzed Enantioselective Desymmetrization of Aziridines with Phosphites
• Authors of publication: Masashi Hayashi; Noriyuki Shiomi; Yasuhiro Funahashi; Shuichi Nakamura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 19366 - 19369
• a: 10.5187 ± 0.0011 Å
• b: 13.024 ± 0.0014 Å
• c: 16.1258 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2209.2 ± 0.4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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 significantly intense reflections: 0.0321
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No