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Information card for entry 4128285
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4128285.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H54 N P |
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Calculated formula | C39 H54 N P |
SMILES | P([C@H]1N(C(C[C@]21C[C@@H](CC[C@H]2C(C)C)C)(C)C)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1 |
Title of publication | Reductive Elimination at Carbon under Steric Control. |
Authors of publication | Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 25 |
Pages of publication | 9823 - 9826 |
a | 18.3658 ± 0.0004 Å |
b | 18.8888 ± 0.0004 Å |
c | 19.5947 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6797.6 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
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 | 0.0546 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.1133 |
Weighted residual factors for all reflections included in the refinement | 0.1188 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation probe | x-ray |
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/4128285.html
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Users of the data should acknowledge the original authors of the
structural data.