Information card for entry 4112581

Structure parameters

• Common name: difluoro[2-(phenylazo)phenyl]-2-propenylsilane
• Formula: C15 H14 F2 N2 Si
• Calculated formula: C15 H14 F2 N2 Si
• SMILES: [Si](F)(F)(CC=C)c1ccccc1N=Nc1ccccc1
• Title of publication: Reactivity Control of an Allylsilane Bearing a 2-(Phenylazo)phenyl Group by Photoswitching of the Coordination Number of Silicon
• Authors of publication: Naokazu Kano; Masaki Yamamura; Takayuki Kawashima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 6250 - 6251
• a: 7.192 ± 0.004 Å
• b: 9.719 ± 0.005 Å
• c: 10.504 ± 0.006 Å
• α: 74.203 ± 0.018°
• β: 87.53 ± 0.03°
• γ: 75.58 ± 0.02°
• Cell volume: 684 ± 0.7 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: 0.0462
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No