Information card for entry 2222833

Structure parameters

• Chemical name: 3-(1-Adamantylamino)-3-methyl-1-phenylquinoline-2,4(1<i>H</i>,3<i>H</i>)-dione
• Formula: C26 H28 N2 O2
• Calculated formula: C26 H28 N2 O2
• SMILES: O=C1N(c2ccccc2C(=O)C1(NC12CC3CC(CC(C1)C3)C2)C)c1ccccc1
• Title of publication: 3-(1-Adamantylamino)-3-methyl-1-phenylquinoline-2,4(1<i>H</i>,3<i>H</i>)-dione
• Authors of publication: Mahmoodi, Niusha; Nečas, Marek; Vícha, Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1866
• a: 9.9714 ± 0.0004 Å
• b: 24.1041 ± 0.0011 Å
• c: 9.3805 ± 0.0005 Å
• α: 90°
• β: 113.111 ± 0.005°
• γ: 90°
• Cell volume: 2073.68 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0787
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes