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Information card for entry 1501982
Preview
| Coordinates | 1501982.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H29 N O7 |
|---|---|
| Calculated formula | C28 H29 N O7 |
| SMILES | N1(C(=O)C2(c3c1cccc3)C(=CCC2(C(=O)OCC)C(=O)OCC)C(=O)OCC)Cc1ccccc1 |
| Title of publication | Phosphine- and nitrogen-containing Lewis base catalyzed highly regioselective and geometric selective cyclization of isatin derived electron-deficient alkenes with ethyl 2,3-butadienoate. |
| Authors of publication | Zhang, Xiu-Chun; Cao, Shu-Hua; Wei, Yin; Shi, Min |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 1142 - 1145 |
| a | 8.9387 ± 0.0015 Å |
| b | 9.9381 ± 0.0016 Å |
| c | 14.389 ± 0.002 Å |
| α | 92.115 ± 0.003° |
| β | 99.658 ± 0.003° |
| γ | 95.354 ± 0.003° |
| Cell volume | 1252.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0878 |
| Residual factor for significantly intense reflections | 0.0724 |
| Weighted residual factors for significantly intense reflections | 0.1996 |
| Weighted residual factors for all reflections included in the refinement | 0.2132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| 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. |
1501982.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501982.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501982.cif |
| 35315 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501982 via cif-deposit CGI script. |
1501982.cif |
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Users of the data should acknowledge the original authors of the
structural data.