Information card for entry 7056997

Structure parameters

• Formula: C28 H36 F12 N4 O4 P2 S
• Calculated formula: C28 H36 F12 N4 O4 P2 S
• Title of publication: Hydrogen-bonding cyclodiphosphazanes: superior effects of 3,5-(CF3)2-substitution in anion-recognition and counter-ion catalysis
• Authors of publication: Wolf, Florian F.; Neudörfl, Jörg-M.; Goldfuss, Bernd
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 4854
• a: 14.0313 ± 0.0004 Å
• b: 21.65 ± 0.0006 Å
• c: 12.1766 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3698.98 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No