Information card for entry 7056994

Structure parameters

• Formula: C20 H30 N4 O2 P2
• Calculated formula: C20 H30 N4 O2 P2
• SMILES: P1(=O)(Nc2ccccc2)N(P(=O)(Nc2ccccc2)N1C(C)(C)C)C(C)(C)C
• 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: 23.561 ± 0.004 Å
• b: 5.5343 ± 0.0007 Å
• c: 33.019 ± 0.007 Å
• α: 90°
• β: 105.037 ± 0.013°
• γ: 90°
• Cell volume: 4158 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No