Information card for entry 2232390

Structure parameters

• Chemical name: 5,5'-Selenobis(2-hydroxybenzaldehyde)
• Formula: C14 H10 O4 Se
• Calculated formula: C14 H10 O4 Se
• SMILES: [Se](c1cc(c(cc1)O)C=O)c1cc(c(O)cc1)C=O
• Title of publication: 5,5'-Selenobis(2-hydroxybenzaldehyde)
• Authors of publication: Wu, Ming-Hu; Liu, Wen-Ju
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2983
• a: 7.7652 ± 0.0005 Å
• b: 11.9129 ± 0.0008 Å
• c: 13.3353 ± 0.0009 Å
• α: 90°
• β: 90.304 ± 0.001°
• γ: 90°
• Cell volume: 1233.58 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0514
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes