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Information card for entry 4514620
Preview
Coordinates | 4514620.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H25 B O2 |
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Calculated formula | C21 H25 B O2 |
SMILES | [C@H]1(C[C@H](c2ccccc12)B1OC(C(C)(C)O1)(C)C)c1ccccc1.[C@@H]1(C[C@@H](c2ccccc12)B1OC(C(C)(C)O1)(C)C)c1ccccc1 |
Title of publication | Remote, Diastereoselective Cobalt-Catalyzed Alkene Isomerization‒Hydroboration: Access to Stereodefined 1,3-Difunctionalized Indanes |
Authors of publication | Léonard, Nadia G.; Palmer, W. Neil; Friedfeld, Max R.; Bezdek, Máté J.; Chirik, Paul J. |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 10 |
Pages of publication | 9034 |
a | 10.2291 ± 0.0006 Å |
b | 13.3412 ± 0.0007 Å |
c | 13.527 ± 0.0007 Å |
α | 87.464 ± 0.002° |
β | 88.582 ± 0.002° |
γ | 80.599 ± 0.002° |
Cell volume | 1819.14 ± 0.17 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0403 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.1042 |
Weighted residual factors for all reflections included in the refinement | 0.1053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4514620.html
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