Information card for entry 7226202

Structure parameters

• Chemical name: Bis(2-hydroxy-4-methoxyphenyl)methanone
• Formula: C15 H14 O5
• Calculated formula: C15 H14 O5
• SMILES: O(c1ccc(c(O)c1)C(=O)c1c(O)cc(OC)cc1)C
• Title of publication: Rh-catalyzed direct synthesis of 2,2′-dihydroxybenzophenones and xanthones
• Authors of publication: Rao, Maddali L. N.; Ramakrishna, Boddu S.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 79
• Pages of publication: 75505
• a: 3.8416 ± 0.0003 Å
• b: 25.1212 ± 0.0016 Å
• c: 12.9636 ± 0.0009 Å
• α: 90°
• β: 92.567 ± 0.002°
• γ: 90°
• Cell volume: 1249.8 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 all reflections: 0.118
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No