Information card for entry 7110379

Structure parameters

• Formula: C19 H10 F11 N
• Calculated formula: C19 H10 F11 N
• SMILES: N12[C@@](C(C([C@]1([C@@]2(C(F)(F)F)c1ccccc1)F)(F)F)(F)F)(C(F)(F)F)c1ccccc1.N12[C@](C(C([C@@]1([C@]2(C(F)(F)F)c1ccccc1)F)(F)F)(F)F)(C(F)(F)F)c1ccccc1
• Title of publication: Novel conversion of perfluoro(2,6-dimethyl-1-azacyclohexene) to 3,3,4,4,5-pentafluoro-2,6-diphenyl-2,6-bis(trifluoromethyl)- 1-azabicyclo[3.1.0]hexane
• Authors of publication: Eric Banks, R.; Besheesh, Mohamed K.; Lawrence, Nicholas J.; Pritchard, Robin G.; Tovell, David J.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 1
• Pages of publication: 47
• a: 10.217 ± 0.002 Å
• b: 8.6426 ± 0.001 Å
• c: 21.054 ± 0.003 Å
• α: 90°
• β: 101.22 ± 0.02°
• γ: 90°
• Cell volume: 1823.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No