Information card for entry 4030764

Structure parameters

• Formula: C20 H12 F12 O2 Si
• Calculated formula: C20 H12 F12 O2 Si
• SMILES: [Si]12(OC(c3c1ccc(c3)C)(C(F)(F)F)C(F)(F)F)OC(c1c2ccc(c1)C)(C(F)(F)F)C(F)(F)F
• Title of publication: Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives.
• Authors of publication: Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 6
• Pages of publication: 3280 - 3288
• a: 9.3373 ± 0.0002 Å
• b: 20.6773 ± 0.0004 Å
• c: 12.0406 ± 0.0003 Å
• α: 90°
• β: 109.931 ± 0.001°
• γ: 90°
• Cell volume: 2185.44 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0347
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No