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Information card for entry 1507708
Preview
| Coordinates | 1507708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C21 H17 N O5 |
|---|---|
| Calculated formula | C21 H17 N O5 |
| SMILES | c12ccccc1c(c(c(C(=O)OC)n2)C(=O)OC)C(=O)c1ccc(cc1)C |
| Title of publication | Copper-catalyzed oxidative cyclization of enynes for the synthesis of 4-carbonyl-quinolines with O2. |
| Authors of publication | Xia, Xiao-Feng; Zhang, Lu-Lu; Song, Xian-Rong; Liu, Xue-Yuan; Liang, Yong-Min |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 2480 - 2483 |
| a | 10.775 ± 0.013 Å |
| b | 21.81 ± 0.03 Å |
| c | 8.143 ± 0.01 Å |
| α | 90° |
| β | 108.88 ± 0.014° |
| γ | 90° |
| Cell volume | 1811 ± 4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1837 |
| Residual factor for significantly intense reflections | 0.097 |
| Weighted residual factors for significantly intense reflections | 0.2126 |
| Weighted residual factors for all reflections included in the refinement | 0.2669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| 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. |
1507708.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. |
1507708.cif |
| 113496 | 2014-05-13 | cif/ Updating files of 1507708, 1507709 Original log message: Adding full bibliography for 1507708--1507709.cif. |
1507708.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507708.cif |
| 59800 | 2012-06-13 | cif/ Adding structures of 1507708 via cif-deposit CGI script. |
1507708.cif |
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Users of the data should acknowledge the original authors of the
structural data.