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Information card for entry 1502256
Preview
| Coordinates | 1502256.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24.25 N2 O5 S |
|---|---|
| Calculated formula | C24 H24.683 N2 O5 S |
| SMILES | C1(=O)c2ccccc2N([C@@]21C(=C)[C@H](C(C)C)N(C2)S(=O)(=O)c1ccc(cc1)C)C(=O)OC.C1(=O)c2ccccc2N([C@]21C(=C)[C@@H](C(C)C)N(C2)S(=O)(=O)c1ccc(cc1)C)C(=O)OC |
| Title of publication | Regiodivergent annulation of alkynyl indoles to construct spiro-pseudoindoxyl and tetrahydro-β-carbolines. |
| Authors of publication | Zhang, Yong-Qiang; Zhu, Dao-Yong; Jiao, Zhi-Wei; Li, Bao-Sheng; Zhang, Fu-Min; Tu, Yong-Qiang; Bi, Zhigang |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 13 |
| Pages of publication | 3458 - 3461 |
| a | 6.5965 ± 0.0018 Å |
| b | 31.133 ± 0.009 Å |
| c | 11.021 ± 0.003 Å |
| α | 90° |
| β | 100.454 ± 0.002° |
| γ | 90° |
| Cell volume | 2225.8 ± 1.1 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0737 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1502256.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502256.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502256.cif |
| 35562 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502256 via cif-deposit CGI script. |
1502256.cif |
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