Information card for entry 2014885

Structure parameters

• Chemical name: N-phenyl-[exo-11-(trifluoromethyl)-endo-11- (trimethylsilyloxy)pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecan- 8-yliden]amine methanol solvate
• Formula: C22 H28 F3 N O2 Si
• Calculated formula: C22 H28 F3 N O2 Si
• Title of publication: Trifluoromethyl derivatives of pentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane
• Authors of publication: Linden, Anthony; Romański, Jarosław; Mlostoń, Grzegorz; Heimgartner, Heinz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o221 - o226
• a: 8.8352 ± 0.0002 Å
• b: 9.3775 ± 0.0003 Å
• c: 12.6843 ± 0.0005 Å
• α: 100.268 ± 0.0015°
• β: 91.417 ± 0.002°
• γ: 94.652 ± 0.002°
• Cell volume: 1029.86 ± 0.06 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes