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Information card for entry 4031963
Preview
Coordinates | 4031963.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H24 N2 O7 |
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Calculated formula | C21 H24 N2 O7 |
SMILES | OC[C@H]1O[C@@H](N2C=C(C(=O)NC2=O)c2ccc(cc2)c2ccccc2)C[C@@H]1O.O.O |
Title of publication | Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling. |
Authors of publication | Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 7 |
Pages of publication | 2713 - 2729 |
a | 8.503 ± 0.002 Å |
b | 19.136 ± 0.004 Å |
c | 24.138 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3927.6 ± 1.5 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 4 |
Space group number | 20 |
Hermann-Mauguin space group symbol | C 2 2 21 |
Hall space group symbol | C 2c 2 |
Residual factor for all reflections | 0.0518 |
Residual factor for significantly intense reflections | 0.0458 |
Weighted residual factors for significantly intense reflections | 0.1119 |
Weighted residual factors for all reflections included in the refinement | 0.1179 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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