Information card for entry 2239669

Structure parameters

• Chemical name: [4-(Allyloxy)phenyl](phenyl)methanone
• Formula: C16 H14 O2
• Calculated formula: C16 H14 O2
• SMILES: C=CCOc1ccc(C(=O)c2ccccc2)cc1
• Title of publication: [4-(Allyloxy)phenyl](phenyl)methanone
• Authors of publication: D'Vries, Richard F.; Grande, Carlos D.; Chaur, Manuel N.; Ellena, Javier A.; Advincula, Rigoberto C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o814 - o815
• a: 6.0141 ± 0.0005 Å
• b: 7.8839 ± 0.0008 Å
• c: 13.5992 ± 0.0014 Å
• α: 90°
• β: 94.442 ± 0.006°
• γ: 90°
• Cell volume: 642.86 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes