Information card for entry 2006359

Structure parameters

• Chemical name: 1-(2,4-Diacetoxyphenyl)-2-phenylethanone
• Formula: C18 H16 O5
• Calculated formula: C18 H16 O5
• SMILES: O=C(c1c(OC(=O)C)cc(OC(=O)C)cc1)Cc1ccccc1
• Title of publication: 1-(2,4-Diacetoxyphenyl)-2-phenylethanone
• Authors of publication: Pati, Hari N.; Parmar, Virinder S.; Errington, William
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1161 - 1162
• a: 8.034 ± 0.006 Å
• b: 9.039 ± 0.007 Å
• c: 11.493 ± 0.009 Å
• α: 106.15 ± 0.06°
• β: 92.75 ± 0.06°
• γ: 106.74 ± 0.06°
• Cell volume: 760.2 ± 1.1 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: 0.0637
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections: 0.1236
• Weighted residual factors for significantly intense reflections: 0.109
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No