Information card for entry 7110519

Structure parameters

• Formula: C15 H22 N O2.5
• Calculated formula: C15 H22 N O2.5
• SMILES: CC(=O)N[C@@H]1[C@](O)(C(C)(C)C1)c1ccc(C)cc1.O.CC(=O)N[C@H]1[C@@](O)(C(C)(C)C1)c1ccc(C)cc1.O
• Title of publication: Stereoselective Yang cyclizations of α-amido ketones
• Authors of publication: Griesbeck, Axel G.; Heckroth, Heike; Lex, Johann
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 12
• Pages of publication: 1109
• a: 12.84 ± 0.001 Å
• b: 18.077 ± 0.001 Å
• c: 12.92 ± 0.001 Å
• α: 90°
• β: 90.62 ± 0.01°
• γ: 90°
• Cell volume: 2998.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections: 0.1422
• Weighted residual factors for significantly intense reflections: 0.1175
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No