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Information card for entry 2018582
Preview
Coordinates | 2018582.cif |
---|---|
Structure factors | 2018582.hkl |
Original IUCr paper | HTML |
Common name | <i>L</i>-Histdinium inosine 3':5'-cyclic phosphate |
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Chemical name | 5-(2-amino-2-carboxyethyl)-1<i>H</i>-imidazol-3-ium 7-hydroxy-2-oxo-6-(6-oxo-6,9-dihydro-1<i>H</i>-purin-9-yl)-4a,6,7,7a-tetrahydro- 4<i>H</i>-1,3,5,2λ^5^-furo[3,2-<i>d</i>][1,3,2λ^5^]dioxaphosphinin-2-olate |
Formula | C16 H20 N7 O9 P |
Calculated formula | C16 H20 N7 O9 P |
SMILES | P1(=O)([O-])O[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO1)n1c2nc[nH]c(=O)c2nc1.O=C([O-])[C@@H]([NH3+])Cc1[nH+]c[nH]c1 |
Title of publication | The first 3':5'-cyclic nucleotide‒amino acid complex: <small>L</small>-His‒cIMP |
Authors of publication | Ślepokura, Katarzyna |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 8 |
Pages of publication | o311 - o316 |
a | 5.709 ± 0.002 Å |
b | 10.284 ± 0.003 Å |
c | 32.795 ± 0.009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1925.4 ± 1 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0323 |
Residual factor for significantly intense reflections | 0.0296 |
Weighted residual factors for significantly intense reflections | 0.0762 |
Weighted residual factors for all reflections included in the refinement | 0.0771 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2018582.html
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