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Information card for entry 1507086
Preview
| Coordinates | 1507086.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C32 H31 Br N2 O7 |
|---|---|
| Calculated formula | C32 H31 Br N2 O7 |
| SMILES | Brc1ccc(C(=C)[C@@H]2N(N([C@@](C2)(C(=O)OCC)C(=O)C)C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 |
| Title of publication | Cu- and Pd-catalyzed asymmetric one-pot tandem addition-cyclization reaction of 2-(2',3'-alkadienyl)-beta-keto esters, organic halides, and dibenzyl azodicarboxylate: an effective protocol for the enantioselective synthesis of pyrazolidine derivatives. |
| Authors of publication | Ma, Shengming; Jiao, Ning; Zheng, Zilong; Ma, Zhichao; Lu, Zhan; Ye, Longwu; Deng, Youqian; Chen, Guofei |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 13 |
| Pages of publication | 2193 - 2196 |
| a | 8.9635 ± 0.0009 Å |
| b | 10.2834 ± 0.0011 Å |
| c | 32.786 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3022.1 ± 0.6 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 | 0.1077 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.0813 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.797 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507086.cif |
| 176729 | 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. |
1507086.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507086.cif |
| 51664 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1507086 via cif-deposit CGI script. |
1507086.cif |
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