Information card for entry 7226796

Structure parameters

• Formula: C53 H57 N S8
• Calculated formula: C53 H57 N S8
• Title of publication: Applying thieno[3,2-b]thiophene as a building block in the design of rigid extended thienoacenes
• Authors of publication: Magnan, François; Gabidullin, Bulat; Brusso, Jaclyn L.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 99
• Pages of publication: 97420
• a: 4.6484 ± 0.0002 Å
• b: 13.9788 ± 0.0007 Å
• c: 19.2908 ± 0.0009 Å
• α: 105.132 ± 0.002°
• β: 90.17 ± 0.003°
• γ: 98.42 ± 0.003°
• Cell volume: 1195.88 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No