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Information card for entry 7153021
Preview
| Coordinates | 7153021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H41 N O5 Si |
|---|---|
| Calculated formula | C26 H41 N O5 Si |
| SMILES | [Si](O[C@@H](C[C@H](OC)[C@H](C(=O)N1[C@H](Cc2ccccc2)COC1=O)C)CC=C)(C(C)(C)C)(C)C |
| Title of publication | Synthesis and biological evaluation of truncated α-tubulin-binding pironetin analogues lacking alkyl pendants in the side chain or the dihydropyrone ring. |
| Authors of publication | Paños, Julián; Díaz-Oltra, Santiago; Sánchez-Peris, María; García-Pla, Jorge; Murga, Juan; Falomir, Eva; Carda, Miguel; Redondo-Horcajo, Mariano; Díaz, J Fernando; Barasoain, Isabel; Marco, J. Alberto |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2013 |
| Journal volume | 11 |
| Journal issue | 35 |
| Pages of publication | 5809 - 5826 |
| a | 8.6842 ± 0.0005 Å |
| b | 8.7472 ± 0.0006 Å |
| c | 18.5924 ± 0.0013 Å |
| α | 90° |
| β | 93.142 ± 0.006° |
| γ | 90° |
| Cell volume | 1410.2 ± 0.16 Å3 |
| Cell temperature | 150 ± 0.14 K |
| Ambient diffraction temperature | 150 ± 0.14 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0862 |
| Residual factor for significantly intense reflections | 0.0757 |
| Weighted residual factors for significantly intense reflections | 0.2339 |
| Weighted residual factors for all reflections included in the refinement | 0.2405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7153021.cif |
| 180316 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/30. |
7153021.cif |
| 87730 | 2013-08-27 | cif/ Adding structures of 7153021 via cif-deposit CGI script. |
7153021.cif |
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Users of the data should acknowledge the original authors of the
structural data.