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Information card for entry 4130322
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Coordinates | 4130322.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H33 O2 Rh |
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Calculated formula | C30 H33 O2 Rh |
SMILES | [Rh]123456([CH2]=[CH2]1)([CH2]=[CH2]2)[c]12[cH]3[cH]4[cH]5[c]61Cc1c(OC)ccc3c1C1(CC3)CCc3ccc(OC)c(c13)C2 |
Title of publication | Synthesis and Application of Chiral Spiro Cp Ligands in Rhodium-Catalyzed Asymmetric Oxidative Coupling of Biaryl Compounds with Alkenes. |
Authors of publication | Zheng, Jun; Cui, Wen-Jun; Zheng, Chao; You, Shu-Li |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 16 |
Pages of publication | 5242 - 5245 |
a | 7.156 ± 0.003 Å |
b | 14.439 ± 0.006 Å |
c | 23.483 ± 0.009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2426.4 ± 1.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0999 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for significantly intense reflections | 0.0838 |
Weighted residual factors for all reflections included in the refinement | 0.0996 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
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/4130322.html
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