Information card for entry 4107784

Structure parameters

• Formula: C15 H11 N O2
• Calculated formula: C15 H11 N O2
• SMILES: N1c2ccccc2Oc2ccccc2C(=C)C1=O
• 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: 19.435 ± 0.003 Å
• b: 19.435 ± 0.003 Å
• c: 8.189 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2678.7 ± 0.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No