Information card for entry 2004794

Structure parameters

• Formula: C15 H11 N O2
• Calculated formula: C15 H11 N O2
• SMILES: Nc1ccc2c(c1)oc(=O)c(c2)c1ccccc1
• Title of publication: 7-Amino-3-phenylcoumarin
• Authors of publication: Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 899 - 901
• a: 9.648 ± 0.002 Å
• b: 21.24 ± 0.01 Å
• c: 5.925 ± 0.003 Å
• α: 94.23 ± 0.04°
• β: 106.93 ± 0.03°
• γ: 86.66 ± 0.03°
• Cell volume: 1157.5 ± 0.9 ų
• Cell temperature: 293 ± 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 significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.075
• Goodness-of-fit parameter for significantly intense reflections: 3.45
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No