Information card for entry 2223593

Structure parameters

• Chemical name: 7<i>H</i>-Chromeno[3,2-<i>h</i>]quinolin-7-one methanol monosolvate
• Formula: C17 H13 N O3
• Calculated formula: C17 H13 N O3
• SMILES: O1c2ccccc2C(=O)c2ccc3cccnc3c12.OC
• Title of publication: 7<i>H</i>-Chromeno[3,2-<i>h</i>]quinolin-7-one methanol monosolvate
• Authors of publication: Qin, Jiang-Ke; Yang, Zheng-Min; Zeng, Ming-Hua; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2368
• a: 8.102 ± 0.002 Å
• b: 8.791 ± 0.003 Å
• c: 10.15 ± 0.003 Å
• α: 102.172 ± 0.003°
• β: 108.76 ± 0.003°
• γ: 93.532 ± 0.003°
• Cell volume: 662.6 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes