Information card for entry 2104096

Structure parameters

• Common name: 2,2'-dihydroxy-4,4'-dimethoxybenzophenone
• Formula: C15 H14 O5
• Calculated formula: C15 H14 O5
• SMILES: O=C(c1c(O)cc(OC)cc1)c1c(O)cc(OC)cc1
• Title of publication: Conformations of substituted benzophenones
• Authors of publication: Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: 206 - 216
• a: 3.8466 ± 0.0001 Å
• b: 25.1521 ± 0.0012 Å
• c: 12.9802 ± 0.0006 Å
• α: 90°
• β: 92.545 ± 0.003°
• γ: 90°
• Cell volume: 1254.6 ± 0.09 ų
• Cell temperature: 120 ± 2 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: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes