Information card for entry 4023788

Structure parameters

• Chemical name: 2,2'-Bis(fluorodiphenylsilyl)-4,4'-dimethylazobenzene
• Formula: C38 H32 F2 N2 Si2
• Calculated formula: C38 H32 F2 N2 Si2
• SMILES: c1(cc(ccc1/N=N/c1c(cc(cc1)C)[Si](c1ccccc1)(F)c1ccccc1)C)[Si](c1ccccc1)(F)c1ccccc1
• Title of publication: Crucial Role of N...Si Interactions in the Solid-State Coloration of Disilylazobenzenes
• Authors of publication: Masaki Yamamura; Naokazu Kano; Takayuki Kawashima; Tomonari Matsumoto; Jun Harada; Keiichiro Ogawa
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 8244 - 8249
• a: 7.916 ± 0.004 Å
• b: 8.961 ± 0.004 Å
• c: 11.39 ± 0.005 Å
• α: 92.725 ± 0.006°
• β: 105.385 ± 0.006°
• γ: 97.941 ± 0.006°
• Cell volume: 768.5 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0422
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No