Information card for entry 2236757

Structure parameters

• Chemical name: 3-Phenylcoumarin
• Formula: C15 H10 O2
• Calculated formula: C15 H10 O2
• SMILES: c1ccccc1c1cc2ccccc2oc1=O
• Title of publication: 3-Phenylcoumarin
• Authors of publication: Matos, Maria J.; Santana, Lourdes; Uriarte, Eugenio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2645
• a: 18.469 ± 0.004 Å
• b: 5.9596 ± 0.0012 Å
• c: 19.274 ± 0.004 Å
• α: 90°
• β: 99.079 ± 0.003°
• γ: 90°
• Cell volume: 2094.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes