Information card for entry 4000381

Structure parameters

• Common name: PhBPMe
• Chemical name: 4-Methyl-4-phenyl-bis[1,2,3]dithiazolo[4,5-b:5',4'-e]pyridin-yl
• Formula: C12 H8 N3 S4
• Calculated formula: C12 H8 N3 S4
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 16.182 ± 0.003 Å
• b: 16.182 ± 0.003 Å
• c: 4.2947 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 974 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No