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Information card for entry 7017467
Preview
Coordinates | 7017467.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H39 B N7 O P Ru |
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Calculated formula | C43 H39 B N7 O P Ru |
SMILES | [BH]12n3ccc[n]3[Ru]3(C(=C(C(c4ccccc4)=[NH]3)c3ccccc3)OC)([n]3cccn13)([n]1cccn21)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Ruthenium-catalyzed oxidation of a carbon-carbon triple bond: facile syntheses of alkenyl 1,2-diketones from alkynes. |
Authors of publication | Hu, Ting-Chuan; Hsiao, Pei-I; Wang, Tsang-Hsiu; Yang, Yu-Wen; Chang, Chih-Yun; Wu, Yuan-Hsun; Sun, Wei-Chen; Yu, Ming-Shiuan; Lee, Ching-Yu; Lo, Yih-Hsing |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 47 |
Pages of publication | 12663 - 12666 |
a | 11.7013 ± 0.0007 Å |
b | 14.1739 ± 0.0009 Å |
c | 23.4437 ± 0.0013 Å |
α | 90° |
β | 104.301 ± 0.002° |
γ | 90° |
Cell volume | 3767.7 ± 0.4 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0341 |
Residual factor for significantly intense reflections | 0.0285 |
Weighted residual factors for significantly intense reflections | 0.0704 |
Weighted residual factors for all reflections included in the refinement | 0.0737 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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