Information card for entry 2004325

Structure parameters

• Formula: C22 H23 N O2
• Calculated formula: C22 H23 N O2
• SMILES: O=C(N1[C@@H]2CCCC[C@H]2C(=O)C[C@@H]1c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>-Benzoyl-2-phenyldecahydroquinolin-4-one, C~22~H~23~NO~2~
• Authors of publication: Thiruvalluvar, A.; Sankar Raja Raj, K.; Krishna Pillay, M.; Venkatasubramanian, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2641 - 2643
• a: 10.001 ± 0.001 Å
• b: 20.603 ± 0.002 Å
• c: 8.601 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1772.2 ± 0.3 ų
• Cell temperature: 298 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 significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 1.18
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No