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Information card for entry 4030336
Preview
Coordinates | 4030336.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H27 Cl3 N6 O4 Pd2 |
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Calculated formula | C37 H27 Cl3 N6 O4 Pd2 |
SMILES | [Pd]123([Pd]4([O]=C(O1)C)(OC(=[O]2)C)[n]1c(nccc1)n1c2c4cccc2c2c1cccc2)[n]1c(nccc1)n1c2c3cccc2c2c1cccc2.ClC(Cl)Cl |
Title of publication | The Palladium-Catalyzed Intermolecular C-H Chalcogenation of Arenes. |
Authors of publication | Qiu, Renhua; Reddy, Vutukuri Prakash; Iwasaki, Takanori; Kambe, Nobuaki |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 80 |
Journal issue | 1 |
Pages of publication | 367 |
a | 15.7682 ± 0.0003 Å |
b | 15.6424 ± 0.0003 Å |
c | 16.4914 ± 0.0004 Å |
α | 90° |
β | 119.547 ± 0.0007° |
γ | 90° |
Cell volume | 3538.66 ± 0.13 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.0286 |
Weighted residual factors for all reflections included in the refinement | 0.0706 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178482 (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 4/03/03. |
4030336.cif |
130706 | 2015-02-04 | cif/ Updating files of 4030336 Original log message: Adding full bibliography for 4030336.cif. |
4030336.cif |
128674 | 2014-12-13 | cif/ Adding structures of 4030336 via cif-deposit CGI script. |
4030336.cif |
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Users of the data should acknowledge the original authors of the
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