Information card for entry 2229146

Structure parameters

• Chemical name: 6-Cyclohexyl-6,7-dihydrodibenzo[<i>c</i>,<i>f</i>][1,5]azabismocin- 12(5<i>H</i>)-yl(N→Bi) trifluoromethanesulfonate
• Formula: C21 H23 Bi F3 N O3 S
• Calculated formula: C21 H23 Bi F3 N O3 S
• Title of publication: 6-Cyclohexyl-6,7-dihydrodibenzo[<i>c</i>,<i>f</i>][1,5]azabismocin-12(5<i>H</i>)-yl(N\ρightarrow Bi) trifluoromethanesulfonate
• Authors of publication: Tan, Nianyuan; Zhang, Xiaowen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m252
• a: 12.6932 ± 0.0013 Å
• b: 15 ± 0.0014 Å
• c: 23.037 ± 0.002 Å
• α: 90°
• β: 94.04 ± 0.002°
• γ: 90°
• Cell volume: 4375.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0612
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes