Information card for entry 2210923

Structure parameters

• Common name: benzyl-o-vanillin
• Chemical name: 2-Benzyloxy-3-methoxybenzaldehyde (benzyl-o-vanillin)
• Formula: C15 H14 O3
• Calculated formula: C15 H14 O3
• SMILES: O(Cc1ccccc1)c1c(cccc1OC)C=O
• Title of publication: 2-Benzyloxy-3-methoxybenzaldehyde (benzyl-<i>o</i>-vanillin)
• Authors of publication: Mohammed H. Al-Douh; Shafida A. Hamid; Hasnah Osman; Shea-Lin Ng; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4768 - o4770
• a: 13.7203 ± 0.0003 Å
• b: 4.6599 ± 0.0001 Å
• c: 19.1552 ± 0.0005 Å
• α: 90°
• β: 97.736 ± 0.001°
• γ: 90°
• Cell volume: 1213.55 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0723
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes