Information card for entry 4508613

Structure parameters

• Formula: C14 H8 N2 O S2
• Calculated formula: C14 H8 N2 O S2
• SMILES: c1ccc(c2ccc(c3cccs3)c3c2non3)s1
• Title of publication: Solution processable benzooxadiazole and benzothiadiazole based d-a-d molecules with chalcogenophene: field effect transistor study and structure property relationship.
• Authors of publication: Pati, Palas Baran; Senanayak, Satyaprasad P.; Narayan, K. S.; Zade, Sanjio S.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2013
• Journal volume: 5
• Journal issue: 23
• Pages of publication: 12460 - 12468
• a: 12.528 ± 0.007 Å
• b: 10.051 ± 0.005 Å
• c: 19.086 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2403 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1961
• Residual factor for significantly intense reflections: 0.1544
• Weighted residual factors for significantly intense reflections: 0.3891
• Weighted residual factors for all reflections included in the refinement: 0.4355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.704
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No