Information card for entry 2234890

Structure parameters

• Chemical name: Dimethyl 5,5'-methylenebis(2-hydroxybenzoate)
• Formula: C17 H16 O6
• Calculated formula: C17 H16 O6
• Title of publication: Dimethyl 5,5'-methylenebis(2-hydroxybenzoate)
• Authors of publication: Guieu, Samuel; Brandão, Paula; Rocha, João; Silva, Artur M. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1404
• a: 20.4168 ± 0.0013 Å
• b: 4.93 ± 0.0003 Å
• c: 15.547 ± 0.0012 Å
• α: 90°
• β: 111.29 ± 0.003°
• γ: 90°
• Cell volume: 1458.08 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes