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Information card for entry 1501985
Preview
| Coordinates | 1501985.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H25 N O7 |
|---|---|
| Calculated formula | C22 H25 N O7 |
| SMILES | CCOC(=O)/C=C1\Oc2n(C)c3c(c2C(C1)(C(=O)OCC)C(=O)OCC)cccc3 |
| 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 | 13.776 ± 0.002 Å |
| b | 8.3633 ± 0.0013 Å |
| c | 18.579 ± 0.003 Å |
| α | 90° |
| β | 96.626 ± 0.002° |
| γ | 90° |
| Cell volume | 2126.2 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1472 |
| Weighted residual factors for all reflections included in the refinement | 0.1495 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| 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. |
1501985.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501985.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501985.cif |
| 35318 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501985 via cif-deposit CGI script. |
1501985.cif |
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Users of the data should acknowledge the original authors of the
structural data.