Information card for entry 2238125

Structure parameters

• Chemical name: 2-Phenoxyethyl benzoate
• Formula: C15 H14 O3
• Calculated formula: C15 H14 O3
• SMILES: O(C(=O)c1ccccc1)CCOc1ccccc1
• Title of publication: 2-Phenoxyethyl benzoate
• Authors of publication: Al-Noaimi, Mousa; Warad, Ismail; Haddad, Salim F.; Husein, Ahmad; Shareiah, Rami
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o789
• a: 9.4675 ± 0.001 Å
• b: 10.1411 ± 0.001 Å
• c: 13.7792 ± 0.0012 Å
• α: 90°
• β: 103.895 ± 0.01°
• γ: 90°
• Cell volume: 1284.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes