Information card for entry 2226874

Structure parameters

• Chemical name: 4-(Benzyloxy)benzaldehyde
• Formula: C14 H12 O2
• Calculated formula: C14 H12 O2
• SMILES: O(Cc1ccccc1)c1ccc(cc1)C=O
• Title of publication: 4-(Benzyloxy)benzaldehyde
• Authors of publication: Kennedy, Alan R.; Kipkorir, Zaccheus R.; Muhanji, Claire I.; Okoth, Maurice O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2110
• a: 11.4772 ± 0.0011 Å
• b: 12.9996 ± 0.0012 Å
• c: 7.2032 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1074.71 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes