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Information card for entry 4030313
Preview
| Coordinates | 4030313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H27 Cl F3 N7 O6 S |
|---|---|
| Calculated formula | C33 H27 Cl F3 N7 O6 S |
| SMILES | S(=O)(=O)(N1C(=O)[C@@](CCN=N#N)(C2=Nc3cccc4[C@@H](N(CC[C@]2(Cl)c34)C(=O)C(F)(F)F)C=C(C)C)c2ccccc12)c1ccccc1N(=O)=O.S(=O)(=O)(N1C(=O)[C@](CCN=N#N)(C2=Nc3cccc4[C@H](N(CC[C@@]2(Cl)c34)C(=O)C(F)(F)F)C=C(C)C)c2ccccc12)c1ccccc1N(=O)=O |
| 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 | 10.9264 ± 0.0005 Å |
| b | 12.1779 ± 0.0006 Å |
| c | 14.2739 ± 0.0007 Å |
| α | 73.033 ± 0.001° |
| β | 67.662 ± 0.001° |
| γ | 67.376 ± 0.001° |
| Cell volume | 1597.82 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.069 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Weighted residual factors for all reflections included in the refinement | 0.0795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.637 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4030313.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. |
4030313.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. |
4030313.cif |
| 128344 | 2014-12-06 | cif/ Adding structures of 4030313 via cif-deposit CGI script. |
4030313.cif |
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