Information card for entry 7115646

Structure parameters

• Formula: C50 H56 N4 Si4
• Calculated formula: C50 H56 N4 Si4
• SMILES: N(C1C(=Nc2ccccc2C#C[Si](C)(C)C)C=C(Nc2c(C#C[Si](C)(C)C)cccc2)C(=Nc2ccccc2C#C[Si](C)(C)C)C=1)c1c(C#C[Si](C)(C)C)cccc1
• Title of publication: A drastic substituent effect on the emission properties of quinone diimine models and valuable insight into the excited states of emeraldine
• Authors of publication: Abdelhameed, Mohammed; Langlois, Adam; Fortin, Daniel; Karsenti, Paul-Ludovic; Harvey, Pierre D.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 76
• Pages of publication: 11214 - 11217
• a: 13.953 ± 0.004 Å
• b: 10.739 ± 0.004 Å
• c: 18.125 ± 0.008 Å
• α: 90°
• β: 105.53 ± 0.03°
• γ: 90°
• Cell volume: 2616.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2092
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.2971
• Weighted residual factors for all reflections included in the refinement: 0.3591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54176 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No