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Information card for entry 4075591
Preview
Coordinates | 4075591.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Complex 7 |
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Formula | C27 H45 N O W |
Calculated formula | C27 H45 N O W |
SMILES | [c]12([c]3([c]4([c]5([c]1(C)[W]1672345([CH](C(C)(C)C)=[C]1(CC)C6(CC)C(=C7CC)CC)N=O)C)C)C)C |
Title of publication | Ortho-Selective C−H Activation of Substituted Benzenes Effected by a Tungsten Alkylidene Complex without Substituent Coordination |
Authors of publication | Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Legzdins, Peter; Patrick, Brian O. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 17 |
Pages of publication | 4215 |
a | 10.792 ± 0.001 Å |
b | 16.44 ± 0.001 Å |
c | 14.468 ± 0.001 Å |
α | 90° |
β | 91.629 ± 0.003° |
γ | 90° |
Cell volume | 2565.9 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0369 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.0783 |
Weighted residual factors for all reflections included in the refinement | 0.0809 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
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/4075591.html
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