Information card for entry 2012512

Structure parameters

• Chemical name: bis[(4R,5R)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2- benzodiazaphosphol-2-yl]methylamine chloroform solvate
• Formula: C17.98 H23.98 Cl2.95 F12 N5 O8 P2 S4
• Calculated formula: C17.983 H23 Cl2.948 F12 N5 O8 P2 S4
• Title of publication: New electron-deficient chiral phosphines: (4<i>R</i>,5<i>R</i>)-1,3-bis(trifluoromethanesulfonyl)perhydro-1,3,2-benzodiazaphosphol-2-yl] substituted amines
• Authors of publication: Konya, Denés; Philouze, Christian; Gimbert, Yves; Greene, Andrew E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o108 - o111
• a: 8.812 ± 0.004 Å
• b: 13.897 ± 0.003 Å
• c: 14.728 ± 0.006 Å
• α: 90°
• β: 90.21 ± 0.03°
• γ: 90°
• Cell volume: 1803.6 ± 1.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for all reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections: 1.878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes