Information card for entry 2003287

Structure parameters

• Chemical name: 1-(1-pyrenyl)-3-(4-(dimethylamino)phenyl)hexamethyltrisilane
• Formula: C30 H37 N Si3
• Calculated formula: C30 H37 N Si3
• SMILES: [Si]([Si]([Si](C)(C)c1ccc(cc1)N(C)C)(C)C)(c1ccc2ccc3cccc4ccc1c2c34)(C)C
• Title of publication: 1-[4-(Dimethylamino)phenyl]-3-(1-pyrenyl)hexamethyltrisilane
• Authors of publication: Van Meervelt, L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 543 - 544
• a: 7.898 ± 0.001 Å
• b: 26.463 ± 0.004 Å
• c: 14.099 ± 0.002 Å
• α: 90°
• β: 99.69 ± 0.02°
• γ: 90°
• Cell volume: 2904.7 ± 0.7 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 K
• Number of distinct elements: 4
• 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: 0.123
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections: 0.1746
• Weighted residual factors for significantly intense reflections: 0.148
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.191
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No