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Information card for entry 7113528
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| Coordinates | 7113528.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ((9-methylene-5,6-dihydro-10,10-dimethoxycarbonyl-benzo(f) pyrrolidino(2,1-a)isoquinoline-5-methyl)Pd(PPh3)I), C40H37NO4IPPd |
|---|---|
| Formula | C40.5 H38 Cl I N O4 P Pd |
| Calculated formula | C40.5 H37 Cl I N O4 P Pd |
| Title of publication | Unexpected isolation, and structural characterization, of a β-hydrogen-containing σ-alkylpalladium halide complex in the course of an intramolecular Heck reaction. Synthesis of polycyclic isoquinoline derivatives |
| Authors of publication | Clique, Blandine; Fabritius, Charles-Henry; Couturier, Cédric; Monteiro, Nuno; Balme, Geneviève |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 2 |
| Pages of publication | 272 - 273 |
| a | 11.291 ± 0.002 Å |
| b | 12.161 ± 0.002 Å |
| c | 15.324 ± 0.003 Å |
| α | 86.99 ± 0.03° |
| β | 78.04 ± 0.03° |
| γ | 68.6 ± 0.03° |
| Cell volume | 1915.9 ± 0.8 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0873 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1506 |
| Weighted residual factors for all reflections included in the refinement | 0.1757 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103941 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210530 (current) | 2018-09-07 | cif/7/ Updating bibliography in entries 7103941, 7113528. Marking entry 7113528 as a duplicate of entry 7103941. |
7113528.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7113528.cif |
| 115113 | 2014-06-02 | cif/ Adding structures of 7113528 via cif-deposit CGI script. |
7113528.cif |
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Users of the data should acknowledge the original authors of the
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