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Information card for entry 7207689
Preview
Coordinates | 7207689.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H34 N3 Na2 O18 P |
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Calculated formula | C9 H34 N3 Na2 O18 P |
SMILES | P(=O)(OC[C@H]1O[C@@H](n2c(=O)nc(N)cc2)C[C@@H]1O)([O-])[O-].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O |
Title of publication | (23)Na double-rotation NMR of sodium nucleotides leads to the discovery of a new dCMP hendecahydrate. |
Authors of publication | Perras, Frédéric A; Korobkov, Ilia; Bryce, David L. |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 14 |
Pages of publication | 4677 - 4681 |
a | 7.3224 ± 0.0009 Å |
b | 10.0224 ± 0.0012 Å |
c | 16.631 ± 0.002 Å |
α | 102.112 ± 0.005° |
β | 92.853 ± 0.006° |
γ | 91.309 ± 0.006° |
Cell volume | 1191.2 ± 0.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0632 |
Residual factor for significantly intense reflections | 0.0568 |
Weighted residual factors for significantly intense reflections | 0.1482 |
Weighted residual factors for all reflections included in the refinement | 0.1544 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/7207689.html
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