Information card for entry 1505387

Structure parameters

• Formula: C31 H33 N O2
• Calculated formula: C31 H33 N O2
• SMILES: O=C(OCC)C1Nc2c(C(C\1=C1\C(C1(C)C)(C)C)(c1ccccc1)c1ccccc1)cccc2
• Title of publication: Lewis acid catalyzed reaction of arylvinylidenecyclopropanes with ethyl (arylimino)acetates: a facile synthetic protocol for pyrrolidine and 1,2,3,4-tetrahydroquinoline derivatives.
• Authors of publication: Lu, Jian-Mei; Shi, Min
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 1805 - 1808
• a: 10.881 ± 0.005 Å
• b: 9.452 ± 0.004 Å
• c: 25.882 ± 0.012 Å
• α: 90°
• β: 97.981 ± 0.008°
• γ: 90°
• Cell volume: 2636 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No