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Information card for entry 1502852
Preview
| Coordinates | 1502852.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H25 N O9 S |
|---|---|
| Calculated formula | C24 H25 N O9 S |
| SMILES | S(=O)(=O)(N1Cc2c(cc3OCOc3c2)C(C(=O)OC)(C(=O)OC)C1CC(=O)C)c1ccc(C)cc1 |
| Title of publication | Diphosphine-catalyzed mixed double-Michael reaction: a unified synthesis of indolines, dihydropyrrolopyridines, benzimidazolines, tetrahydroquinolines, tetrahydroisoquinolines, dihydrobenzo-1,4-oxazines, and dihydrobenzo-3,1-oxazines. |
| Authors of publication | Sriramurthy, Vardhineedi; Kwon, Ohyun |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 5 |
| Pages of publication | 1084 - 1087 |
| a | 7.5859 ± 0.0013 Å |
| b | 8.635 ± 0.0015 Å |
| c | 18.433 ± 0.003 Å |
| α | 84.251 ± 0.002° |
| β | 81.606 ± 0.002° |
| γ | 85.071 ± 0.001° |
| Cell volume | 1185.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0722 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1183 |
| Weighted residual factors for all reflections included in the refinement | 0.1328 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1502852.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502852.cif |
| 36806 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1502847, 1502848, 1502849, 1502850, 1502851, 1502852 via cif-deposit CGI script. |
1502852.cif |
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Users of the data should acknowledge the original authors of the
structural data.