Information card for entry 4348155

Structure parameters

• Chemical name: 5-(4-Trimethylsilylphenyl)benzo[c][1,2,5]thiadiazole
• Formula: C15 H16 N2 S Si
• Calculated formula: C15 H16 N2 S Si
• SMILES: s1nc2cc(ccc2n1)c1ccc([Si](C)(C)C)cc1
• Title of publication: Tuning the Rainbow: Systematic Modulation of Donor-Acceptor Systems through Donor Substituents and Solvent.
• Authors of publication: Larsen, Christopher B.; van der Salm, Holly; Shillito, Georgina E.; Lucas, Nigel T.; Gordon, Keith C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8446 - 8458
• a: 7.4105 ± 0.0002 Å
• b: 12.6297 ± 0.0004 Å
• c: 17.1588 ± 0.0007 Å
• α: 110.283 ± 0.003°
• β: 94.904 ± 0.003°
• γ: 99.001 ± 0.003°
• Cell volume: 1470.78 ± 0.09 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No