Information card for entry 7240427

Structure parameters

• Common name: 4-(benzyloxy)benzaldehyde
• Chemical name: 4-(phenylmethoxybenzaldehyde
• Formula: C14 H12 O2
• Calculated formula: C14 H12 O2
• SMILES: O=Cc1ccc(OCc2ccccc2)cc1
• Title of publication: Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses
• Authors of publication: Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 29
• Pages of publication: 16861 - 16874
• a: 11.5088 ± 0.0005 Å
• b: 12.9889 ± 0.0006 Å
• c: 7.2608 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1085.39 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0315
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No