Information card for entry 2003388

Structure parameters

• Chemical name: 4H,6H-dithieno[3,2-c:2',3'-e]oxepine
• Formula: C10 H8 O S2
• Calculated formula: C10 H8 O S2
• SMILES: O1Cc2ccsc2c2c(C1)ccs2
• Title of publication: Five 3,3'-Bridged 2,2'-Dithiophenes
• Authors of publication: Pilati, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 690 - 697
• a: 14.03 ± 0.002 Å
• b: 9.009 ± 0.002 Å
• c: 16.306 ± 0.005 Å
• α: 90°
• β: 113.49 ± 0.02°
• γ: 90°
• Cell volume: 1890.2 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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 significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for significantly intense reflections: 1.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No