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Information card for entry 1507856
Preview
| Coordinates | 1507856.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H23 N O2 S |
|---|---|
| Calculated formula | C28 H23 N O2 S |
| SMILES | C1Cc2c(CN1S(=O)(=O)c1ccc(cc1)C)cc(c1ccccc21)C#Cc1ccccc1 |
| Title of publication | Gold-catalyzed cascade reaction of hydroxy enynes for the synthesis of oxanorbornenes and naphthalene derivatives. |
| Authors of publication | Song, Xian-Rong; Xia, Xiao-Feng; Song, Qing-Bao; Yang, Fang; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 13 |
| Pages of publication | 3344 - 3347 |
| a | 8.568 ± 0.004 Å |
| b | 12.935 ± 0.006 Å |
| c | 20.357 ± 0.01 Å |
| α | 90° |
| β | 100.261 ± 0.005° |
| γ | 90° |
| Cell volume | 2220 ± 1.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.071 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1085 |
| Weighted residual factors for all reflections included in the refinement | 0.124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507856.cif |
| 201954 | 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. |
1507856.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. |
1507856.cif |
| 113480 | 2014-05-12 | cif/ Updating files of 1507856, 1507857 Original log message: Adding full bibliography for 1507856--1507857.cif. |
1507856.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507856.cif |
| 62342 | 2012-07-07 | cif/ Adding structures of 1507856 via cif-deposit CGI script. |
1507856.cif |
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Users of the data should acknowledge the original authors of the
structural data.