Information card for entry 2236889

Structure parameters

• Chemical name: Methyl 4-benzyloxy-2-hydroxybenzoate
• Formula: C15 H14 O4
• Calculated formula: C15 H14 O4
• SMILES: O(Cc1ccccc1)c1ccc(c(O)c1)C(=O)OC
• Title of publication: Methyl 4-benzyloxy-2-hydroxybenzoate
• Authors of publication: Palakshamurthy, B. S.; Srinivasa, H. T.; Kumar, Vijith; Sreenivasa, S.; Devarajegowda, H. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3382
• a: 5.7731 ± 0.001 Å
• b: 7.9855 ± 0.0014 Å
• c: 14.046 ± 0.003 Å
• α: 89.49 ± 0.006°
• β: 80.111 ± 0.005°
• γ: 87.21 ± 0.006°
• Cell volume: 637.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes