Information card for entry 2224707

Structure parameters

• Chemical name: (7-Dimethylamino-1-hydroxy-3-naphthyl)(morpholino)methanone
• Formula: C17 H20 N2 O3
• Calculated formula: C17 H20 N2 O3
• SMILES: Oc1cc(cc2c1cc(N(C)C)cc2)C(=O)N1CCOCC1
• Title of publication: (7-Dimethylamino-1-hydroxy-3-naphthyl)(morpholino)methanone
• Authors of publication: Kim, Moon-Hwan; Seo, Ji-Su; Kim, Chong-Hyeak; Ryu, Jae-Wook; Lee, Ki-Hwan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o66
• a: 12.625 ± 0.0005 Å
• b: 13.9634 ± 0.0006 Å
• c: 8.8369 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1557.84 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes