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Information card for entry 1529470
Preview
| Coordinates | 1529470.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H33 N O3.5 |
|---|---|
| Calculated formula | C22 H33 N O3.5 |
| SMILES | N1C(=O)[C@]23[C@H]([C@@H]1CC(C)C)[C@@H](C(=C[C@@H]2C[C@]1(O[C@@H]2C[C@H]1[C@@]3(O)C2)C)C)C.O |
| Title of publication | Pericoannosin A, a Polyketide Synthase-Nonribosomal Peptide Synthetase Hybrid Metabolite with New Carbon Skeleton from the Endophytic Fungus Periconia sp. |
| Authors of publication | Zhang, Dewu; Tao, Xiaoyu; Chen, Ridao; Liu, Jimei; Li, Li; Fang, Xiaomei; Yu, Liyan; Dai, Jungui |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 17 |
| Pages of publication | 4304 - 4307 |
| a | 12.515 ± 0.003 Å |
| b | 14.907 ± 0.002 Å |
| c | 45.898 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8563 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0719 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1566 |
| Weighted residual factors for all reflections included in the refinement | 0.1713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
1529470.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1529470.cif |
| 154787 | 2015-09-06 | cif/ Updating files of 1529469, 1529470 Original log message: Adding full bibliography for 1529469--1529470.cif. |
1529470.cif |
| 153690 | 2015-08-27 | cif/ Adding structures of 1529470 via cif-deposit CGI script. |
1529470.cif |
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Users of the data should acknowledge the original authors of the
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