Information card for entry 7153796

Structure parameters

• Formula: C11 H13 F N2 O2
• Calculated formula: C11 H13 F N2 O2
• SMILES: c1(cc2c(cc1)[C@@H](C[C@H](C)N2)CN(=O)=O)F
• Title of publication: Asymmetric synthesis of tetrahydroquinolines through supramolecular organocatalysis.
• Authors of publication: Ramachary, Dhevalapally B.; Shruthi, Kodambahalli S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 25
• Pages of publication: 4300 - 4304
• a: 8.1246 ± 0.0003 Å
• b: 9.2109 ± 0.0003 Å
• c: 14.8139 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1108.6 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0497
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No