Information card for entry 4025474

Structure parameters

• Formula: C18 H23 N O2
• Calculated formula: C18 H23 N O2
• SMILES: N12C(=O)CC[C@H]3[C@@H](CCC[C@@]13OC[C@H]2c1ccccc1)C
• Title of publication: Biomimetic Construction of the Hydroquinoline Ring System. Diastereodivergent Enantioselective Synthesis of 2,5-Disubstitutedcis-Decahydroquinolines
• Authors of publication: Mercedes Amat; Robert Fabregat; Rosa Griera; Pedro Florindo; Elies Molins; Joan Bosch
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 3797 - 3805
• a: 7.863 ± 0.006 Å
• b: 13.811 ± 0.009 Å
• c: 14.249 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1547.4 ± 1.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No