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Information card for entry 7213300
Preview
Coordinates | 7213300.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Cefadroxil/2,6-dihydroxynaphthalene |
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Formula | C42 H60 N6 O21 S2 |
Calculated formula | C42 H42 N6 O21 S2 |
SMILES | S1CC(=C(N2[C@H]1[C@@H](C2=O)NC(=O)[C@H]([NH3+])c1ccc(cc1)O)C(=O)[O-])C.S1CC(=C(N2[C@H]1[C@@H](C2=O)NC(=O)[C@H]([NH3+])c1ccc(cc1)O)C(=O)[O-])C.Oc1ccc2c(c1)ccc(O)c2.O.O.O.O.O.O.O.O.O |
Title of publication | Induced fit phenomena in clathrate structures of cephalosporins |
Authors of publication | Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 2000 |
Journal issue | 7 |
Pages of publication | 1425 |
a | 7.1079 ± 0.0018 Å |
b | 21.863 ± 0.005 Å |
c | 32.306 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5020.4 ± 1.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1557 |
Residual factor for significantly intense reflections | 0.0771 |
Weighted residual factors for all reflections | 0.2369 |
Weighted residual factors for significantly intense reflections | 0.1898 |
Weighted residual factors for all reflections included in the refinement | 0.2369 |
Goodness-of-fit parameter for all reflections | 1.046 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7213300.html
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Users of the data should acknowledge the original authors of the
structural data.