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Information card for entry 4070178
Preview
Coordinates | 4070178.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H29 B N9 O4 P W |
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Calculated formula | C20 H29 B N9 O4 P W |
SMILES | [W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1C=CN(C([CH]3=1)CN(=O)=O)C(=O)C |
Title of publication | Stereo- and Regioselective Nucleophilic Addition to Dihapto-Coordinated Pyridine Complexes |
Authors of publication | Harrison, Daniel P.; Zottig, Victor E.; Kosturko, George W.; Welch, Kevin D.; Sabat, Michal; Myers, William H.; Harman, W. Dean |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 19 |
Pages of publication | 5682 |
a | 11.7027 ± 0.0004 Å |
b | 13.7471 ± 0.0005 Å |
c | 15.9655 ± 0.0005 Å |
α | 90° |
β | 97.271 ± 0.001° |
γ | 90° |
Cell volume | 2547.85 ± 0.15 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0415 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for significantly intense reflections | 0.0688 |
Weighted residual factors for all reflections included in the refinement | 0.0732 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 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/4070178.html
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Users of the data should acknowledge the original authors of the
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