Information card for entry 2233252

Structure parameters

• Chemical name: 3-[(2-Formylthiophen-3-yl)(hydroxy)methyl]thiophene-2-carbaldehyde
• Formula: C11 H8 O3 S2
• Calculated formula: C11 H8 O3 S2
• SMILES: s1c(c(C(O)c2c(scc2)C=O)cc1)C=O
• Title of publication: 3-[(2-Formylthiophen-3-yl)(hydroxy)methyl]thiophene-2-carbaldehyde
• Authors of publication: Sun, Lili; Li, Guijuan; Su, Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o182
• a: 7.6227 ± 0.0018 Å
• b: 10.136 ± 0.002 Å
• c: 14.272 ± 0.003 Å
• α: 90°
• β: 101.998 ± 0.004°
• γ: 90°
• Cell volume: 1078.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes