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Information card for entry 1507748
Preview
| Coordinates | 1507748.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C27 H28 Br N O6 |
|---|---|
| Calculated formula | C27 H28 Br N O6 |
| SMILES | Brc1ccc(COCCC[C@@H]2[C@@H](c3c4cc(ccc4n(C(=O)C)c3OC2=O)C)C(=O)OCC)cc1 |
| Title of publication | N-Heterocyclic Carbene (NHC)-Catalyzed Highly Diastereo- and Enantioselective Oxo-Diels-Alder Reactions for Synthesis of Fused Pyrano[2,3-b]indoles. |
| Authors of publication | Yang, Limin; Wang, Fei; Chua, Pei Juan; Lv, Yunbo; Zhong, Liang-Jun; Zhong, Guofu |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 2894 - 2897 |
| a | 5.036 ± 0.0002 Å |
| b | 10.9704 ± 0.0005 Å |
| c | 11.4714 ± 0.0005 Å |
| α | 89.596 ± 0.002° |
| β | 84.698 ± 0.002° |
| γ | 86.513 ± 0.002° |
| Cell volume | 629.88 ± 0.05 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0388 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0694 |
| Weighted residual factors for all reflections included in the refinement | 0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507748.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. |
1507748.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507748.cif |
| 59837 | 2012-06-13 | cif/ Adding structures of 1507748 via cif-deposit CGI script. |
1507748.cif |
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Users of the data should acknowledge the original authors of the
structural data.