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Information card for entry 2233827
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Coordinates | 2233827.cif |
---|---|
Original IUCr paper | HTML |
Common name | clarithromycin |
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Chemical name | (3<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>,7<i>R</i>,9<i>R</i>, 11<i>S</i>,12<i>R</i>,13<i>S</i>,14<i>S</i>)- 6-{[(2<i>S</i>,3<i>R</i>,4<i>S</i>,6<i>R</i>)-4-dimethylamino- 3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-12,13-dihydroxy- 4-{[(2<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-5-hydroxy-4-methoxy- 4,6-dimethyloxan-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyl-1- oxacyclotetradecane-2,10-dione |
Formula | C38 H71 N O14 |
Calculated formula | C38 H71 N O14 |
SMILES | CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)OC.O |
Title of publication | Clarithromycin monohydrate: a synchrotron X-ray powder study |
Authors of publication | Noguchi, Shuji; Fujiki, Sadahiro; Iwao, Yasunori; Miura, Keiko; Itai, Shigeru |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 3 |
Pages of publication | o667 - o668 |
a | 15.6999 ± 0.0002 Å |
b | 18.8817 ± 0.0002 Å |
c | 15.0267 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4454.53 ± 0.09 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 4 |
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 | 0.07572 |
Goodness-of-fit parameter for all reflections | 3.3196 |
Method of determination | powder diffraction |
Diffraction radiation wavelength | 1.3 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2233827.html
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