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Information card for entry 7056998
Preview
Coordinates | 7056998.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H34 F12 N4 O2 P2 S2 |
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Calculated formula | C28 H34 F12 N4 O2 P2 S2 |
SMILES | S=P1(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N(P(=S)(Nc2cc(C(F)(F)F)cc(c2)C(F)(F)F)N1C(C)(C)C)C(C)(C)C.O=C(OCC)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 | 9.148 ± 0.0006 Å |
b | 17.8831 ± 0.0019 Å |
c | 22.334 ± 0.002 Å |
α | 90° |
β | 93.484 ± 0.009° |
γ | 90° |
Cell volume | 3647 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0391 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0884 |
Weighted residual factors for all reflections included in the refinement | 0.0897 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7056998.html
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