Information card for entry 4107785

Structure parameters

• Formula: C15 H12 Cl N O2
• Calculated formula: C15 H12 Cl N O2
• SMILES: Clc1ccc2Oc3c(NC(=O)[C@@H](c2c1)C)cccc3
• Title of publication: Sequence of Intramolecular Carbonylation and Asymmetric Hydrogenation Reactions: Highly Regio- and Enantioselective Synthesis of Medium Ring Tricyclic Lactams
• Authors of publication: Shui-Ming Lu; Howard Alper
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 6451 - 6455
• a: 18.342 ± 0.003 Å
• b: 4.9532 ± 0.0007 Å
• c: 14.966 ± 0.002 Å
• α: 90°
• β: 105.889 ± 0.002°
• γ: 90°
• Cell volume: 1307.7 ± 0.3 ų
• Cell temperature: 202 ± 2 K
• Ambient diffraction temperature: 202 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No