Information card for entry 1503215

Structure parameters

• Common name: EB038
• Formula: C16 H8 N2 O S
• Calculated formula: C16 H8 N2 O S
• Title of publication: Synthesis of π-extended thiadiazole (oxides) and their electronic properties.
• Authors of publication: Linder, Thomas; Badiola, Eider; Baumgartner, Thomas; Sutherland, Todd C.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 4520 - 4523
• a: 14.6637 ± 0.0004 Å
• b: 11.904 ± 0.0003 Å
• c: 7.2169 ± 0.0002 Å
• α: 90°
• β: 115.913 ± 0.001°
• γ: 90°
• Cell volume: 1133.1 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No