Information card for entry 2009963

Structure parameters

• Formula: C14 H10 O4
• Calculated formula: C14 H10 O4
• SMILES: O=C(C(=O)Oc1ccccc1)Oc1ccccc1
• Title of publication: Substituted diphenyl oxalates
• Authors of publication: George, C.; Lahti, P. M.; Modarelli, D. A.; Inceli, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1308 - 1312
• a: 10.622 ± 0.002 Å
• b: 7.836 ± 0.001 Å
• c: 14.084 ± 0.002 Å
• α: 90°
• β: 103.62 ± 0.01°
• γ: 90°
• Cell volume: 1139.3 ± 0.3 ų
• Cell temperature: 233 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for significantly intense reflections: 1.61
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No