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Information card for entry 1513325
Preview
| Coordinates | 1513325.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H25 Br N2 O4 S |
|---|---|
| Calculated formula | C26 H25 Br N2 O4 S |
| SMILES | Brc1ccc([C@@H]([C@@]2(C(=O)OC(=N2)c2ccccc2)C(C)C)NS(=O)(=O)c2ccc(cc2)C)cc1.Brc1ccc([C@H]([C@]2(C(=O)OC(=N2)c2ccccc2)C(C)C)NS(=O)(=O)c2ccc(cc2)C)cc1 |
| Title of publication | Asymmetric Aza-Mannich Addition of Oxazolones to N-Tosyl Aldimines: Synthesis of Chiral α-Disubstituted α,β-Diamino Acids |
| Authors of publication | Liu, Xiaodong; Deng, Leijiao; Jiang, Xianxing; Yan, Wenjin; Liu, Chunliang; Wang, Rui |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 4 |
| Pages of publication | 876 - 879 |
| a | 10.4253 ± 0.0003 Å |
| b | 12.8475 ± 0.0004 Å |
| c | 19.086 ± 0.0006 Å |
| α | 78.59 ± 0.002° |
| β | 86.532 ± 0.002° |
| γ | 88.841 ± 0.002° |
| Cell volume | 2501.16 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1229 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 1503426 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210331 (current) | 2018-09-02 | cif/1/ Updating bibliography in entries 1503426, 1513325, 1516314. Marking entries 1513325, 1516314 as duplicates of entry 1503426. |
1513325.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. |
1513325.cif |
| 108723 | 2014-04-03 | cif/1 Fixing formula and Z values |
1513325.cif |
| 99242 | 2014-01-30 | cif/ Adding structures of 1513325 via cif-deposit CGI script. |
1513325.cif |
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