Information card for entry 4030766

Structure parameters

• Formula: C46 H40 F26 Na2 O12 Si2
• Calculated formula: C46 H40 F26 Na2 O12 Si2
• SMILES: [Si]123([F]4[Na]5([F]C(F)(F)C([O]15)(c1c3ccc(OC)c1)C(F)(F)F)([O]=C(C)C)([OH2])[F]1[Si]35(OC(c6c3ccc(OC)c6)(C(F)(F)F)C(F)(F)F)[O]3[Na]41([F]C(F)(F)C3(c1c5ccc(OC)c1)C(F)(F)F)([O]=C(C)C)[OH2])OC(c1c2ccc(OC)c1)(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: 9.7682 ± 0.0002 Å
• b: 12.0747 ± 0.0002 Å
• c: 12.4636 ± 0.0003 Å
• α: 76.595 ± 0.001°
• β: 87.118 ± 0.001°
• γ: 78.923 ± 0.001°
• Cell volume: 1403.34 ± 0.05 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No