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Information card for entry 4075516
Preview
Coordinates | 4075516.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H29 B N7 O2 P W |
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Calculated formula | C20 H29 B N7 O2 P W |
SMILES | [W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1C=CC(C(=O)[CH]3=1)CC |
Title of publication | Common Electrophilic Addition Reactions at the Phenol Ring: The Chemistry of TpW(NO)(PMe3)(η2-phenol) |
Authors of publication | Todd, Michael A.; Grachan, Melissa L.; Sabat, Michal; Myers, William H.; Harman, W. Dean |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 16 |
Pages of publication | 3948 |
a | 15.6626 ± 0.001 Å |
b | 12.1938 ± 0.0007 Å |
c | 13.3061 ± 0.0008 Å |
α | 90° |
β | 111.5 ± 0.001° |
γ | 90° |
Cell volume | 2364.5 ± 0.2 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 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 | 0.039 |
Residual factor for significantly intense reflections | 0.0325 |
Weighted residual factors for significantly intense reflections | 0.076 |
Weighted residual factors for all reflections included in the refinement | 0.0786 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4075516.html
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