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Information card for entry 1502146
Preview
| Coordinates | 1502146.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H25 Br N2 O8 |
|---|---|
| Calculated formula | C24 H25 Br N2 O8 |
| SMILES | Brc1ccc(cc1)[C@@H]1[C@@](c2c(cccc2)N(=O)=O)(CC(N1)(C(=O)OCC)C(=O)OCC)C(=O)OC |
| Title of publication | Asymmetic organocatalytic 1,3-dipolar cycloaddition of azomethine ylide to methyl 2-(2-nitrophenyl)acrylate for the synthesis of diastereoisomers of spirotryprostatin A. |
| Authors of publication | Cheng, Mou-Nuo; Wang, Hao; Gong, Liu-Zhu |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 2418 - 2421 |
| a | 8.066 ± 0.005 Å |
| b | 8.898 ± 0.005 Å |
| c | 34.816 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 90 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 2499 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.092 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1274 |
| Weighted residual factors for all reflections included in the refinement | 0.132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1502146.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502146.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502146.cif |
| 35464 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502146 via cif-deposit CGI script. |
1502146.cif |
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Users of the data should acknowledge the original authors of the
structural data.