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Information card for entry 4030309
Preview
| Coordinates | 4030309.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H24 Br N3 O4 |
|---|---|
| Calculated formula | C23 H24 Br N3 O4 |
| SMILES | Brc1c2[C@](C(=O)N(c2ccc1)C)(CCO)[C@@]12c3ccccc3N([C@@H]1NCC2)C(=O)OC.Brc1c2[C@@](C(=O)N(c2ccc1)C)(CCO)[C@]12c3ccccc3N([C@H]1NCC2)C(=O)OC |
| Title of publication | Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine. |
| Authors of publication | Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2014 |
| Journal volume | 80 |
| Journal issue | 1 |
| Pages of publication | 528 |
| a | 8.932 ± 0.0003 Å |
| b | 27.1836 ± 0.001 Å |
| c | 9.0145 ± 0.0003 Å |
| α | 90° |
| β | 107.683 ± 0.002° |
| γ | 90° |
| Cell volume | 2085.34 ± 0.13 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0694 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.0646 |
| Weighted residual factors for all reflections included in the refinement | 0.0654 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.528 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4030309.cif |
| 178482 | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/03. |
4030309.cif |
| 138287 | 2015-06-05 | cif/ Updating files of 4030304, 4030305, 4030306, 4030307, 4030308, 4030309, 4030310, 4030311, 4030312, 4030313 Original log message: Adding full bibliography for 4030304--4030313.cif. |
4030309.cif |
| 128340 | 2014-12-06 | cif/ Adding structures of 4030309 via cif-deposit CGI script. |
4030309.cif |
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