Information card for entry 2236326

Structure parameters

• Chemical name: 3,5-Bis(benzyloxy)benzoic acid
• Formula: C21 H18 O4
• Calculated formula: C21 H18 O4
• Title of publication: 3,5-Bis(benzyloxy)benzoic acid
• Authors of publication: Moreno-Fuquen, Rodolfo; Grande, Carlos; Advincula, Rigoberto C.; Tenorio, Juan C.; Ellena, Javier
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3247 - o3248
• a: 5.2801 ± 0.0002 Å
• b: 11.683 ± 0.0005 Å
• c: 14.4803 ± 0.0007 Å
• α: 83.303 ± 0.002°
• β: 80.775 ± 0.002°
• γ: 79.031 ± 0.001°
• Cell volume: 862.17 ± 0.06 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.1013
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes