Information card for entry 7151621

Structure parameters

• Common name: Ethyl-5-acetyl-8-methoxy-3a,4,5,9b-tetrahydro-3H- cyclopenta(c)quinoline -4-carboxylate
• Formula: C18 H21 N O4
• Calculated formula: C18 H21 N O4
• Title of publication: Mechanistic studies on the formal aza-Diels-Alder reactions of N-aryl imines: evidence for the non-concertedness under Lewis-acid catalysed conditions.
• Authors of publication: Hermitage, Stephen; Howard, Judith A. K.; Jay, David; Pritchard, Robin G.; Probert, Michael R.; Whiting, Andrew
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 17
• Pages of publication: 2451 - 2460
• a: 9.2885 ± 0.0004 Å
• b: 9.7175 ± 0.0004 Å
• c: 10.1841 ± 0.0005 Å
• α: 67.61 ± 0.002°
• β: 83.86 ± 0.002°
• γ: 66.887 ± 0.002°
• Cell volume: 780.73 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No