Information card for entry 7108398

Structure parameters

• Formula: C22 H19 N O
• Calculated formula: C22 H19 N O
• SMILES: O=C(c1ccccc1)[C@]1(Nc2ccccc2)C[C@H]1c1ccccc1
• Title of publication: A general access to 1,1-cyclopropane aminoketones and their conversion into 2-benzoyl quinolines
• Authors of publication: Zhenjun Mao; Haijun Qu; Yanyan Zhao; Xufeng Lin
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9927
• a: 6.2543 ± 0.0003 Å
• b: 14.7919 ± 0.0006 Å
• c: 9.4637 ± 0.0005 Å
• α: 90°
• β: 101.721 ± 0.005°
• γ: 90°
• Cell volume: 857.26 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No