Information card for entry 2009199

Structure parameters

• Chemical name: 7-Methoxy-2-methylnaphtho[1,2-b]thiophene
• Formula: C14 H12 O S
• Calculated formula: C14 H12 O S
• SMILES: s1c(cc2ccc3cc(OC)ccc3c12)C
• Title of publication: 7-Methoxy-2-methylnaphtho[1,2-<i>b</i>]thiophene
• Authors of publication: Jayanta Kumar Ray; Dipanjan Pan; S. Shanmuga Sundara Raj; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1849 - 1850
• a: 7.5611 ± 0.0002 Å
• b: 8.1393 ± 0.0001 Å
• c: 18.9671 ± 0.0004 Å
• α: 90°
• β: 94.798 ± 0.001°
• γ: 90°
• Cell volume: 1163.18 ± 0.04 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No