Information card for entry 2222164

Structure parameters

• Chemical name: 9-Isopropenyl-4-methyl-2<i>H</i>-thieno[2,3-<i>h</i>]chromen-2-one
• Formula: C15 H12 O2 S
• Calculated formula: C15 H12 O2 S
• SMILES: s1c2ccc3c(cc(=O)oc3c2c(c1)C(=C)C)C
• Title of publication: 9-Isopropenyl-4-methyl-2<i>H</i>-thieno[2,3-<i>h</i>]chromen-2-one
• Authors of publication: Xu, Shiqing; Chen, Ying; Xia, Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1311
• a: 8.547 ± 0.002 Å
• b: 11.425 ± 0.003 Å
• c: 13.641 ± 0.004 Å
• α: 90°
• β: 108.259 ± 0.019°
• γ: 90°
• Cell volume: 1265 ± 0.6 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: 0.087
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes