Information card for entry 1504796

Structure parameters

• Common name: 07094
• Formula: C25 H22 N2 O3
• Calculated formula: C25 H22 N2 O3
• SMILES: O1C(=O)N([C@@H](C1)Cc1ccccc1)[C@H]1C(=O)N([C@H]1c1ccccc1)c1ccccc1
• Title of publication: A highly stereoselective synthesis of chiral alpha-amino-beta-lactams via the Kinugasa reaction employing ynamides.
• Authors of publication: Zhang, Xuejun; Hsung, Richard P.; Li, Hongyan; Zhang, Yu; Johnson, Whitney L.; Figueroa, Ruth
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 16
• Pages of publication: 3477 - 3479
• a: 12.95 ± 0.002 Å
• b: 5.8187 ± 0.0009 Å
• c: 14.737 ± 0.002 Å
• α: 90°
• β: 114.73 ± 0.003°
• γ: 90°
• Cell volume: 1008.6 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No