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Information card for entry 4518420
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Coordinates | 4518420.cif |
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Original paper (by DOI) | HTML |
Common name | '((2R,3S,4S,6S)-3-acetoxy-4-(picolinamido)-6-(2,3,4-trimethoxyphenyl) tetrahydro-2H-pyran-2-yl)methyl acetate' |
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Formula | C25 H30 N2 O9 |
Calculated formula | C25 H30 N2 O9 |
Title of publication | Diastereoselective Pd-Catalyzed Anomeric C(sp3)‒H Activation: Synthesis of α-(Hetero)aryl C-Glycosides |
Authors of publication | Ghouilem, Juba; Tran, Christine; Grimblat, Nicolas; Retailleau, Pascal; Alami, Mouad; Gandon, Vincent; Messaoudi, Samir |
Journal of publication | ACS Catalysis |
Year of publication | 2021 |
Pages of publication | 1818 - 1826 |
a | 9.9196 ± 0.0003 Å |
b | 11.7763 ± 0.0003 Å |
c | 21.4011 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2499.99 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0535 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.1093 |
Weighted residual factors for all reflections included in the refinement | 0.1128 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4518420.html
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structural data.