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Information card for entry 7017468
Preview
Coordinates | 7017468.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H42 B N6 O P Ru |
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Calculated formula | C45 H42 B N6 O P Ru |
SMILES | c1ccn2[BH]3n4ccc[n]4[Ru]4(C(=CC(Cc5ccc(C)cc5)=[O]4)c4ccc(cc4)C)([n]12)([n]1cccn31)[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 | 24.637 ± 0.001 Å |
b | 10.0656 ± 0.0004 Å |
c | 32.0278 ± 0.0013 Å |
α | 90° |
β | 91.513 ± 0.002° |
γ | 90° |
Cell volume | 7939.7 ± 0.6 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 | 0.0758 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.0951 |
Weighted residual factors for all reflections included in the refinement | 0.1137 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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