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Information card for entry 7216723
Preview
Coordinates | 7216723.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H41 N8 O6 P |
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Calculated formula | C25 H41 N8 O6 P |
SMILES | P(=O)(CC(=O)O)(O)[O-].c1(Cc2c(C)n[nH]c2C)c(C)[nH]nc1C.c1(Cc2c(C)[nH][nH+]c2C)c(C)n[nH]c1C.OC |
Title of publication | A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole |
Authors of publication | Singh, Udai P.; Narang, Shikha |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 33 |
Pages of publication | 7777 |
a | 15.269 ± 0.003 Å |
b | 8.82 ± 0.002 Å |
c | 21.635 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2913.6 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0858 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for significantly intense reflections | 0.1342 |
Weighted residual factors for all reflections included in the refinement | 0.1532 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7216723.html
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Users of the data should acknowledge the original authors of the
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