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Information card for entry 4029245
Preview
Coordinates | 4029245.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | VRT-1205044 |
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Formula | C21 H23 N5 O5 |
Calculated formula | C21 H23 N5 O5 |
SMILES | O1[C@@H](n2c3c(nc2)c(NC(=O)c2ccccc2)ncn3)[C@@H]2OC(O[C@@H]2[C@H]1[C@@H](O)C)(C)C |
Title of publication | Preparation of both c5' epimers of 5'-C-methyladenosine: reagent control trumps substrate control. |
Authors of publication | Bligh, Cavan M; Anzalone, Luigi; Jung, Young Chun; Zhang, Yuegang; Nugent, William A |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 7 |
Pages of publication | 3238 - 3243 |
a | 8.914 ± 0.0001 Å |
b | 8.3961 ± 0.0001 Å |
c | 14.3759 ± 0.0002 Å |
α | 90° |
β | 91.907 ± 0.001° |
γ | 90° |
Cell volume | 1075.34 ± 0.02 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0303 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.0705 |
Weighted residual factors for all reflections included in the refinement | 0.0708 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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