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Information card for entry 4513215
Preview
Coordinates | 4513215.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H28 B Fe P |
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Calculated formula | C32 H28 B Fe P |
SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)[P]1(Cc2c(c3c(C1)ccc1c3cccc1)c1c(cccc1)cc2)[BH3])[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases |
Authors of publication | Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier |
Journal of publication | ACS Catalysis |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 7 |
Pages of publication | 4300 |
a | 7.8373 ± 0.0003 Å |
b | 11.1807 ± 0.0003 Å |
c | 28.7574 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2519.91 ± 0.14 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.036 |
Residual factor for significantly intense reflections | 0.0316 |
Weighted residual factors for all reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0364 |
Weighted residual factors for all reflections included in the refinement | 0.0364 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0497 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4513215.html
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