Information card for entry 1552780

Structure parameters

• Formula: C17 H15 N O2
• Calculated formula: C17 H15 N O2
• SMILES: o1c(=O)c(cc2ccc(N(C)C)cc12)c1ccccc1
• Title of publication: Crystal Structure of 7-(Dimethylamino)-3-phenylcoumarin
• Authors of publication: KUBO, Kanji; MATSUMOTO, Taisuke; TAKECHI, Haruko
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2019
• Journal volume: 35
• Journal issue: 0
• Pages of publication: 47
• a: 15.29 ± 0.003 Å
• b: 6.5298 ± 0.0014 Å
• c: 27.551 ± 0.006 Å
• α: 90°
• β: 105.054 ± 0.013°
• γ: 90°
• Cell volume: 2656.3 ± 1 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No