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Information card for entry 4030306
Preview
| Coordinates | 4030306.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H45 Br N2 O6 Si |
|---|---|
| Calculated formula | C34 H45 Br N2 O6 Si |
| SMILES | Brc1cc(N(=O)=O)c([C@](C(=O)OCC=C)(CC=C)[C@@]2(c3ccccc3N(C2=O)C)CCO[Si](C(C)C)(C(C)C)C(C)C)cc1.Brc1cc(N(=O)=O)c([C@@](C(=O)OCC=C)(CC=C)[C@]2(c3ccccc3N(C2=O)C)CCO[Si](C(C)C)(C(C)C)C(C)C)cc1 |
| 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 | 8.0482 ± 0.0004 Å |
| b | 14.1277 ± 0.0008 Å |
| c | 15.3665 ± 0.0008 Å |
| α | 99.073 ± 0.002° |
| β | 94.101 ± 0.003° |
| γ | 91.448 ± 0.002° |
| Cell volume | 1719.75 ± 0.16 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0754 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0805 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178482 (current) | 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. |
4030306.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. |
4030306.cif |
| 128337 | 2014-12-06 | cif/ Adding structures of 4030306 via cif-deposit CGI script. |
4030306.cif |
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Users of the data should acknowledge the original authors of the
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