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Information card for entry 2022410
Preview
| Coordinates | 2022410.cif |
|---|---|
| Structure factors | 2022410.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1'<i>SR</i>,2'<i>SR</i>,3<i>RS</i>,8a'<i>RS</i>)-2'-Benzoyl-5-chloro-1-methyl-2-oxo-1',5',6',7',8',8a'-hexahydro-2'<i>H</i>-spiro[indoline-3,3'-indolizine]-1'-carboxylic acid |
|---|---|
| Formula | C24 H23 Cl N2 O4 |
| Calculated formula | C24 H23 Cl N2 O4 |
| SMILES | N1(C(=O)[C@]2(c3cc(Cl)ccc13)[C@H]([C@@H]([C@@H]1N2CCCC1)C(=O)O)C(=O)c1ccccc1)C.N1(C(=O)[C@@]2(c3cc(Cl)ccc13)[C@@H]([C@H]([C@H]1N2CCCC1)C(=O)O)C(=O)c1ccccc1)C |
| Title of publication | Synthesis and spectroscopic and structural characterization of spiro[indoline-3,3′-indolizine]s formed by 1,3-dipolar cycloadditions between isatins, pipecolic acid and an electron-deficient alkene |
| Authors of publication | Romo, Pablo E.; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 9 |
| a | 8.7914 ± 0.0009 Å |
| b | 9.3155 ± 0.001 Å |
| c | 14.6188 ± 0.0015 Å |
| α | 73.437 ± 0.004° |
| β | 76.259 ± 0.004° |
| γ | 64.156 ± 0.003° |
| Cell volume | 1023.83 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.039 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0768 |
| Weighted residual factors for all reflections included in the refinement | 0.0812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267986 (current) | 2021-08-07 | cif/ hkl/ Adding structures of 2022407, 2022408, 2022409, 2022410, 2022411 via cif-deposit CGI script. |
2022410.cif 2022410.hkl |
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Users of the data should acknowledge the original authors of the
structural data.