Information card for entry 7052851

Structure parameters

• Formula: C28 H44 N2 S Si2
• Calculated formula: C28 H44 N2 S Si2
• Title of publication: Photophysical property trends for a homologous series of bis-ethynyl-substituted benzochalcogendiazoles
• Authors of publication: Coombs, Benjamin A.; Lindner, Benjamin D.; Edkins, Robert M.; Rominger, Frank; Beeby, Andrew; Bunz, Uwe H. F.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 550
• a: 14.336 ± 0.0014 Å
• b: 14.9701 ± 0.0015 Å
• c: 14.9722 ± 0.0016 Å
• α: 90°
• β: 97.892 ± 0.002°
• γ: 90°
• Cell volume: 3182.8 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.2099
• Weighted residual factors for all reflections included in the refinement: 0.2437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No