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Information card for entry 4030127
Preview
| Coordinates | 4030127.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H21 Cl N2 O6 |
|---|---|
| Calculated formula | C24 H21 Cl N2 O6 |
| SMILES | c12ccccc1[C@@]1(C(=O)N2C)[C@@H](CC(=C(C1=O)Cc1ccc(cc1)N(=O)=O)Cl)C(=O)OCC.c12ccccc1[C@]1(C(=O)N2C)[C@H](CC(=C(C1=O)Cc1ccc(cc1)N(=O)=O)Cl)C(=O)OCC |
| Title of publication | AlCl3-promoted selective Michael addition with allenoate and methyleneindolinone: synthesis of spirocyclic oxindole by using allenoate as a four-carbon component building block. |
| Authors of publication | Xu, Shibo; Li, Chunju; Jia, Xueshun; Li, Jian |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2014 |
| Journal volume | 79 |
| Journal issue | 22 |
| Pages of publication | 11161 - 11169 |
| a | 9.554 ± 0.01 Å |
| b | 11.029 ± 0.012 Å |
| c | 12.179 ± 0.013 Å |
| α | 91.515 ± 0.012° |
| β | 100.99 ± 0.011° |
| γ | 115.566 ± 0.012° |
| Cell volume | 1128 ± 2 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 | 0.0576 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1211 |
| Weighted residual factors for all reflections included in the refinement | 0.1358 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178480 (current) | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/01. |
4030127.cif |
| 131367 | 2015-02-07 | cif/ Updating files of 4030127, 4030128, 4030129 Original log message: Adding full bibliography for 4030127--4030129.cif. |
4030127.cif |
| 126260 | 2014-11-05 | cif/ Adding structures of 4030127 via cif-deposit CGI script. |
4030127.cif |
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Users of the data should acknowledge the original authors of the
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