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Information card for entry 1516587
Preview
| Coordinates | 1516587.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H19 Br N2 O5 |
|---|---|
| Calculated formula | C22 H19 Br N2 O5 |
| SMILES | Brc1cccc2N(C(=O)[C@@]3(c12)CCOC(=O)[C@]3(CC=C)c1ccccc1N(=O)=O)C |
| Title of publication | A diastereodivergent synthetic strategy for the syntheses of communesin f and perophoramidine. |
| Authors of publication | Han, Seo-Jung; Vogt, Florian; Krishnan, Shyam; May, Jeremy A.; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 12 |
| Pages of publication | 3316 - 3319 |
| a | 9.1581 ± 0.0002 Å |
| b | 12.6857 ± 0.0003 Å |
| c | 16.703 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1940.5 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0337 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.0489 |
| Weighted residual factors for all reflections included in the refinement | 0.05 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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. |
1516587.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. |
1516587.cif |
| 119300 | 2014-07-05 | cif/ Updating files of 1516586, 1516587 Original log message: Adding full bibliography for 1516586--1516587.cif. |
1516587.cif |
| 116343 | 2014-06-10 | cif/ Adding structures of 1516587 via cif-deposit CGI script. |
1516587.cif |
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Users of the data should acknowledge the original authors of the
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