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Information card for entry 4084669
Preview
Coordinates | 4084669.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H33 B F3 N8 O4 P S W |
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Calculated formula | C23 H33 B F3 N8 O4 P S W |
SMILES | [W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1CC=C2CCC[N+](=C2[CH]3=1)C.S(=O)(=O)([O-])C(F)(F)F |
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 | 15.291 ± 0.0005 Å |
b | 12.713 ± 0.0004 Å |
c | 16.0828 ± 0.0005 Å |
α | 90° |
β | 104.254 ± 0.0005° |
γ | 90° |
Cell volume | 3030.16 ± 0.17 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 9 |
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 | 0.0196 |
Residual factor for significantly intense reflections | 0.0169 |
Weighted residual factors for significantly intense reflections | 0.0435 |
Weighted residual factors for all reflections included in the refinement | 0.0451 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
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/4084669.html
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