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Information card for entry 4084671
Preview
Coordinates | 4084671.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H40 B N8 O2 P W |
---|---|
Calculated formula | C27 H40 B N8 O2 P W |
SMILES | [W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1[C@H]2N(CC[C@@H]2C[C@@H]([CH]3=1)c1oc(cc1)C)CC.[W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1[C@@H]2N(CC[C@H]2C[C@H]([CH]3=1)c1oc(cc1)C)CC |
Title of publication | Stereoselective Synthesis oftrans-Tetrahydroindolines Promoted by a Tungsten π Base |
Authors of publication | MacLeod, Brianna L.; Pienkos, Jared A.; Myers, Jeffery T.; Sabat, Michal; Myers, William H.; Harman, W. Dean |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 22 |
Pages of publication | 6286 |
a | 14.105 ± 0.002 Å |
b | 11.767 ± 0.002 Å |
c | 19.26 ± 0.003 Å |
α | 90° |
β | 106.782 ± 0.003° |
γ | 90° |
Cell volume | 3060.5 ± 0.8 Å3 |
Cell temperature | 233 ± 2 K |
Ambient diffraction temperature | 233 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0156 |
Residual factor for significantly intense reflections | 0.0143 |
Weighted residual factors for significantly intense reflections | 0.0348 |
Weighted residual factors for all reflections included in the refinement | 0.0362 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
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/4084671.html
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Users of the data should acknowledge the original authors of the
structural data.