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Information card for entry 8101004
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| Coordinates | 8101004.cif |
|---|
| Formula | C16 H18 N2 O9 |
|---|---|
| Calculated formula | C16 H18 N2 O9 |
| SMILES | O=c1ccn2[C@@H]3O[C@@H]([C@H]([C@@]3(Oc2n1)COC(=O)C)OC(=O)C)COC(=O)C |
| Title of publication | Crystal structure of 3',5'-di-O-acetyl-2'-C-α-acetyl-oxymethyl- 2,2'-anhydro-1-(β-D-arabinofuranosyl)uracil, C~16~H~18~N~2~O~9~ |
| Authors of publication | Dai, Qing; Piccirilli, Joseph A.; Zheng, Chong; Li, Shoujian |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 3 |
| Pages of publication | 343 - 346 |
| a | 8.215 ± 0.002 Å |
| b | 9.826 ± 0.003 Å |
| c | 21.721 ± 0.006 Å |
| α | 94.987 ± 0.007° |
| β | 96.316 ± 0.006° |
| γ | 90.005 ± 0.006° |
| Cell volume | 1735.9 ± 0.8 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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