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Information card for entry 1516522
Preview
| Coordinates | 1516522.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H31 N O5 |
|---|---|
| Calculated formula | C26 H31 N O5 |
| SMILES | O[C@@]12CC=C(C(C1(C)C)=CC[C@]1(C)CCCC=C1[C@@H]2OC(=O)c1ccc(N(=O)=O)cc1)C |
| Title of publication | Highly efficient synthesis of the tricyclic core of taxol by cascade metathesis. |
| Authors of publication | Letort, Aurélien; Aouzal, Rémi; Ma, Cong; Long, De-Liang; Prunet, Joëlle |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 12 |
| Pages of publication | 3300 - 3303 |
| a | 7.495 ± 0.0006 Å |
| b | 10.4454 ± 0.0009 Å |
| c | 35.197 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2755.5 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1565 |
| Residual factor for significantly intense reflections | 0.1164 |
| Weighted residual factors for significantly intense reflections | 0.2886 |
| Weighted residual factors for all reflections included in the refinement | 0.3085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
1516522.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516522.cif |
| 119288 | 2014-07-05 | cif/ Updating files of 1516522 Original log message: Adding full bibliography for 1516522.cif. |
1516522.cif |
| 116005 | 2014-06-06 | cif/ Adding structures of 1516522 via cif-deposit CGI script. |
1516522.cif |
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Users of the data should acknowledge the original authors of the
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