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Information card for entry 4106627
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Coordinates | 4106627.cif |
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Original paper (by DOI) | HTML |
Common name | YMW-V-48B |
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Chemical name | toste43 |
Formula | C25 H24 O4 |
Calculated formula | C25 H24 O4 |
SMILES | c12ccccc1C(=C([C@@H](c1ccccc1)O2)Cc1ccco1)OC(=O)C(C)(C)C |
Title of publication | Chiral (Acyclic Diaminocarbene)Gold(I)-Catalyzed Dynamic Kinetic Asymmetric Transformation of Propargyl Esters |
Authors of publication | Yi-Ming Wang; Christian N. Kuzniewski; Vivek Rauniyar; Christina Hoong; F. Dean Toste |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 12972 - 12975 |
a | 8.2364 ± 0.0005 Å |
b | 9.6818 ± 0.0006 Å |
c | 26.1298 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2083.7 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0322 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.0822 |
Weighted residual factors for all reflections included in the refinement | 0.0834 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4106627.html
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