Information card for entry 2207114

Structure parameters

• Formula: C9 H7 N O S
• Calculated formula: C9 H7 N O S
• Title of publication: 4-(2-Thienyl)-1<i>H</i>-pyrrole-2-carbaldehyde
• Authors of publication: Davis, Rohan A.; Carroll, Anthony R.; Quinn, Ronald J.; Healy, Peter C.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3401 - o3402
• a: 6.303 ± 0.002 Å
• b: 7.745 ± 0.003 Å
• c: 17.424 ± 0.001 Å
• α: 90°
• β: 96.64 ± 0.01°
• γ: 90°
• Cell volume: 844.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.086
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes