Information card for entry 1519805

Structure parameters

• Formula: C10 H9 N O S
• Calculated formula: C10 H9 N O S
• SMILES: C(c1ccc(c2cccs2)nc1)O
• Title of publication: (6-Thien-2-ylpyrid-3-yl)methanol
• Authors of publication: Huth, Susanne L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 373
• a: 14.2845 ± 0.0008 Å
• b: 5.4226 ± 0.0002 Å
• c: 22.7593 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1762.92 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2077
• Residual factor for significantly intense reflections: 0.1062
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No