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Information card for entry 7151891
Preview
| Coordinates | 7151891.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C40 H36 Br N O7 |
|---|---|
| Calculated formula | C40 H36 Br N O7 |
| SMILES | Brc1ccc(cc1)[C@@H]1C(C(=C=C(c2ccccc2)c2ccccc2)[C@@](C(=O)OC)(C)N1C(=O)c1ccccc1)(C(=O)OCC)C(=O)OCC |
| Title of publication | Asymmetric construction of 3-vinylidene-pyrrolidine derivatives containing allene moiety via Ag(I)/TF-BiphamPhos-catalyzed 1,3-dipolar cycloaddition of azomethine ylides with diethyl 2-(3,3-diphenylpropa-1,2-dienylidene) malonate. |
| Authors of publication | Xue, Zhi-Yong; Fang, Xin; Wang, Chun-Jiang |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 3622 - 3624 |
| a | 13.323 ± 0.002 Å |
| b | 15.987 ± 0.003 Å |
| c | 17.448 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3716.3 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0684 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1344 |
| Weighted residual factors for all reflections included in the refinement | 0.1463 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151891.cif |
| 180304 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/18. |
7151891.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151891.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151891.cif |
| 21439 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151891 via cif-deposit CGI script. |
7151891.cif |
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