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Information card for entry 4507379
Preview
Coordinates | 4507379.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | N9-(carboxymethylguanine)+K |
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Formula | C14 H30 K N10 O15 |
Calculated formula | C14 H30 K N10 O15 |
SMILES | c1([nH]c(=O)c2c(n1)n(cn2)CC(=O)O[K]([OH2])([OH2])([OH2])([OH2])([OH2])OC(=O)Cn1c2c(c(=O)[nH]c(N)n2)nc1)N.O.O.O.O |
Title of publication | Ion Channel-like Crystallographic Signatures in Modified GuanineāPotassium/Sodium Interactions |
Authors of publication | Nagapradeep, N.; Sharma, Suneeta; Verma, Sandeep |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 2 |
Pages of publication | 455 |
a | 17.936 ± 0.007 Å |
b | 9.59 ± 0.003 Å |
c | 14.73 ± 0.005 Å |
α | 90° |
β | 104.7 ± 0.011° |
γ | 90° |
Cell volume | 2450.7 ± 1.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0646 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.1155 |
Weighted residual factors for all reflections included in the refinement | 0.1306 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4507379.html
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Users of the data should acknowledge the original authors of the
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