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Information card for entry 4110262
Preview
| Coordinates | 4110262.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H29 N O6 |
|---|---|
| Calculated formula | C25 H29 N O6 |
| SMILES | Oc1ccc(c(O)c1NC(=O)CC[C@@]1(C(=O)C=C[C@]23[C@H]1[C@@H]1C[C@H](C2)[C@@](C1)(C3)C)C)C(=O)O |
| Title of publication | Total Synthesis and Antibacterial Properties of Carbaplatensimycin |
| Authors of publication | K. C. Nicolaou; Yefeng Tang; Jianhua Wang; Antonia F. Stepan; Ang Li; Ana Montero |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 14850 - 14851 |
| a | 10.166 ± 0.002 Å |
| b | 11.161 ± 0.002 Å |
| c | 19.386 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2199.6 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.073 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.114 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4110262.cif |
| 178873 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/02. |
4110262.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110262.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110262.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110262.cif |
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Users of the data should acknowledge the original authors of the
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