Information card for entry 8107527

Structure parameters

• Formula: C14 H10 O4 Se2
• Calculated formula: C14 H10 O4 Se2
• SMILES: [Se]([Se]c1ccc(O)c(c1)C=O)c1ccc(O)c(c1)C=O
• Title of publication: The crystal structure of 5,5′-diselanediyl-bis(2-hydroxybenzaldehyde), C14H10O4Se2
• Authors of publication: Tingting, Lin; Qiuling, Peng; Meiyun, Lv; Mengping, Guo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 673 - 674
• a: 6.6836 ± 0.0011 Å
• b: 8.9933 ± 0.0011 Å
• c: 11.5062 ± 0.0019 Å
• α: 77.128 ± 0.012°
• β: 87.684 ± 0.014°
• γ: 89.975 ± 0.012°
• Cell volume: 673.65 ± 0.18 ų
• Cell temperature: 293 ± 0.1 K
• Ambient diffraction temperature: 293 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No