Information card for entry 2237190

Structure parameters

• Chemical name: Diphenylmethyl benzoate
• Formula: C20 H16 O2
• Calculated formula: C20 H16 O2
• SMILES: O(C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1
• Title of publication: Diphenylmethyl benzoate
• Authors of publication: Kaur, Manpreet; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.; Siddegowda, M. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o81
• a: 5.75357 ± 0.00019 Å
• b: 16.0368 ± 0.0005 Å
• c: 8.3114 ± 0.0003 Å
• α: 90°
• β: 95.34 ± 0.003°
• γ: 90°
• Cell volume: 763.56 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes