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Information card for entry 4109948
Preview
| Coordinates | 4109948.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 2 |
|---|---|
| Formula | C19 H23 N O2 |
| Calculated formula | C19 H23 N O2 |
| SMILES | c1cccc2c1N([C@@H]1[C@@]32CC(=O)O[C@]3(C=C1C)CCCC)C.c1cccc2c1N([C@H]1[C@]32CC(=O)O[C@@]3(C=C1C)CCCC)C |
| Title of publication | PtCl2-Catalyzed Rapid Access to Tetracyclic 2,3-Indoline-Fused Cyclopentenes: Reactivity Divergent from Cationic Au(I) Catalysis and Synthetic Potential |
| Authors of publication | Guozhu Zhang; Vincent J. Catalano; Liming Zhang |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 11358 - 11359 |
| a | 7.9387 ± 0.0002 Å |
| b | 9.9181 ± 0.0002 Å |
| c | 10.4955 ± 0.0002 Å |
| α | 93.249 ± 0.001° |
| β | 107.568 ± 0.001° |
| γ | 94.082 ± 0.001° |
| Cell volume | 783.18 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0469 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1233 |
| Weighted residual factors for all reflections included in the refinement | 0.1256 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4109948.cif |
| 178845 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/99. |
4109948.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109948.cif |
| 58727 | 2012-05-30 | cif/ Adding structures of 4109948 via cif-deposit CGI script. |
4109948.cif |
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Users of the data should acknowledge the original authors of the
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