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Information card for entry 4106121
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Coordinates | 4106121.cif |
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Original paper (by DOI) | HTML |
Chemical name | (S)-Benzoic acid 4-(diethoxyphosphorylmethylene)-1- (toluene-4-sulfonyl)pyrrolidin-3-yl ester |
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Formula | C23 H28 N O7 P S |
Calculated formula | C23 H28 N O7 P S |
Title of publication | Rhodium-Catalyzed Enantioselective Cyclizations of γ-Alkynylaldehydes with Acyl Phosphonates: Ligand- and Substituent-Controlled C-P or C-H Bond Cleavage |
Authors of publication | Kengo Masuda; Norifumi Sakiyama; Rie Tanaka; Keiichi Noguchi; Ken Tanaka |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 6918 - 6921 |
a | 8.5255 ± 0.0002 Å |
b | 10.0064 ± 0.0002 Å |
c | 28.4762 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2429.29 ± 0.09 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0442 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.1066 |
Weighted residual factors for all reflections included in the refinement | 0.1127 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4106121.html
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