Information card for entry 7156310

Structure parameters

• Chemical name: Unknown
• Formula: C23 H25 F N3 O4
• Calculated formula: C23 H25 F N3 O4
• Title of publication: An organocatalytic asymmetric Mannich reaction for the synthesis of 3,3-disubstituted-3,4-dihydro-2-quinolones.
• Authors of publication: Mukhopadhyay, Soumendranath; Pan, Subhas Chandra
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 30
• Pages of publication: 5407 - 5411
• a: 11.8968 ± 0.0011 Å
• b: 18.4254 ± 0.0017 Å
• c: 10.7033 ± 0.0008 Å
• α: 90°
• β: 103.556 ± 0.008°
• γ: 90°
• Cell volume: 2280.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0982
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No