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Information card for entry 4107539
Preview
Coordinates | 4107539.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H45 B Cl N O P2 Pd |
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Calculated formula | C24 H45 B Cl N O P2 Pd |
SMILES | [Pd](C(c1ccccc1)=C1CC(OB1N(C(C)C)C(C)C)(C)C)(Cl)([P](C)(C)C)[P](C)(C)C |
Title of publication | Palladium-Catalyzed trans- and cis-Carboboration of Alkynes Tethered to Chloroborane with Organozirconium Reagents: Ligand-Dependent Complementary Stereoselectivity |
Authors of publication | Masaki Daini; Akihiko Yamamoto; Michinori Suginome |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 2918 - 2919 |
a | 12.352 ± 0.003 Å |
b | 18.73 ± 0.005 Å |
c | 13.332 ± 0.004 Å |
α | 90° |
β | 107.041 ± 0.01° |
γ | 90° |
Cell volume | 2949 ± 1.4 Å3 |
Cell temperature | 296.1 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.0248 |
Weighted residual factors for all reflections included in the refinement | 0.0266 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.319 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4107539.cif |
120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107539.cif |
55225 | 2012-05-04 | cif/ Adding structures of 4107539 via cif-deposit CGI script. |
4107539.cif |
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Users of the data should acknowledge the original authors of the
structural data.