Information card for entry 2208793

Structure parameters

• Chemical name: 2-hydroxy-2',4,4'-trimethoxybenzophenone
• Formula: C16 H16 O5
• Calculated formula: C16 H16 O5
• SMILES: c1(c(ccc(c1)OC)C(=O)c1c(cc(cc1)OC)OC)O
• Title of publication: 2-Hydroxy-2',4,4'-trimethoxybenzophenone
• Authors of publication: Qiu, Lin; Wang, Li; Zhao, Yong-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1980 - o1981
• a: 12.395 ± 0.003 Å
• b: 10.114 ± 0.002 Å
• c: 12.055 ± 0.003 Å
• α: 90°
• β: 111.16 ± 0.01°
• γ: 90°
• Cell volume: 1409.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes