Information card for entry 7108148

Structure parameters

• Formula: C45 H37 B Cl F15 N2
• Calculated formula: C45 H37 B Cl F15 N2
• SMILES: Cl[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.n1(c[n+](cc1)c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
• Title of publication: Donor‒acceptor stabilized silaformyl chloride
• Authors of publication: Ghadwal, Rajendra S.; Azhakar, Ramachandran; Roesky, Herbert W.; Pröpper, Kevin; Dittrich, Birger; Goedecke, Catharina; Frenking, Gernot
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 66
• Pages of publication: 8186 - 8188
• a: 12.3598 ± 0.0003 Å
• b: 18.4204 ± 0.0004 Å
• c: 18.896 ± 0.0004 Å
• α: 90°
• β: 97.75 ± 0.001°
• γ: 90°
• Cell volume: 4262.8 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No