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Information card for entry 2007423
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Coordinates | 2007423.cif |
---|---|
Original IUCr paper | HTML |
Common name | (±)-6,6'-Anhydro-2'-deoxy-6,6'b-dihydroxycarbacytidine |
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Chemical name | (±)-6,6'-Anhydro-2'-deoxy-6,6'b-dihydroxycarbacytidine |
Formula | C10 H15 N3 O5 |
Calculated formula | C10 H15 N3 O5 |
SMILES | n12c(=O)nc(N)cc1O[C@H]1[C@@H]2C[C@H](O)[C@H]1CO.O.n12c(=O)nc(N)cc1O[C@@H]1[C@H]2C[C@@H](O)[C@@H]1CO.O |
Title of publication | A (±)-Cyclocytidine Analogue with a Low-<i>anti</i> Conformation around the Glycosyl Bond |
Authors of publication | Ohishi, Hirofumi; Urata, Hidehito; Akagi, Masao; Tomita, Ken-ichi |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1998 |
Journal volume | 54 |
Journal issue | 7 |
Pages of publication | 980 - 982 |
a | 6.87 ± 0.002 Å |
b | 20.711 ± 0.002 Å |
c | 8.526 ± 0.001 Å |
α | 90° |
β | 100.69 ± 0.01° |
γ | 90° |
Cell volume | 1192.1 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.069 |
Residual factor for significantly intense reflections | 0.052 |
Weighted residual factors for all reflections | 0.143 |
Weighted residual factors for significantly intense reflections | 0.134 |
Goodness-of-fit parameter for all reflections | 2.098 |
Goodness-of-fit parameter for significantly intense reflections | 2.259 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2007423.html
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Users of the data should acknowledge the original authors of the
structural data.