Information card for entry 4508616

Structure parameters

• Formula: C14 H8 N2 S Se2
• Calculated formula: C14 H8 N2 S Se2
• SMILES: [se]1c(c2ccc(c3c2nsn3)c2[se]ccc2)ccc1
• 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: 16.1045 ± 0.0014 Å
• b: 12.8052 ± 0.001 Å
• c: 6.4559 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1331.34 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No