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Information card for entry 7056995
Preview
Coordinates | 7056995.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H30 N4 P2 S2 |
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Calculated formula | C20 H30 N4 P2 S2 |
SMILES | P1(=S)(N(P(=S)(N1C(C)(C)C)Nc1ccccc1)C(C)(C)C)Nc1ccccc1 |
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 | 15.3034 ± 0.0003 Å |
b | 17.1558 ± 0.0003 Å |
c | 17.7407 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4657.68 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0306 |
Residual factor for significantly intense reflections | 0.0277 |
Weighted residual factors for significantly intense reflections | 0.0729 |
Weighted residual factors for all reflections included in the refinement | 0.0752 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
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/7056995.html
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