Information card for entry 4030763

Structure parameters

• Formula: C26.5 H13 Cl F12 O2 Si
• Calculated formula: C26 H12 F12 O2 Si
• SMILES: [Si]12(OC(c3c1c1ccccc1cc3)(C(F)(F)F)C(F)(F)F)OC(c1c2c2ccccc2cc1)(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: 18.6833 ± 0.0009 Å
• b: 10.3132 ± 0.0005 Å
• c: 27.1247 ± 0.0014 Å
• α: 90°
• β: 94.236 ± 0.003°
• γ: 90°
• Cell volume: 5212.2 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No