Information card for entry 4112582

Structure parameters

• Common name: potassium tetrafluoro{2-[2-phenyl-1-(2-propenyl)-hydrazino]phenyl}silicate, 18-crown-6
• Formula: C29 H41 Cl6 F4 K N2 O6 Si
• Calculated formula: C29 H41 Cl6 F4 K N2 O6 Si
• SMILES: [Si]123([NH+](N(c4c3cccc4)CC=C)c3ccccc3)([F][K]34567([F]1)([F]2)[O]1CC[O]3CC[O]4CC[O]5CC[O]6CC[O]7CC1)F.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 9.522 ± 0.005 Å
• b: 11.167 ± 0.005 Å
• c: 20.225 ± 0.01 Å
• α: 86.45 ± 0.03°
• β: 76.75 ± 0.03°
• γ: 67.67 ± 0.02°
• Cell volume: 1935.6 ± 1.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No