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Information card for entry 4025983
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Coordinates | 4025983.cif |
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Original paper (by DOI) | HTML |
Chemical name | 3-(2,2-Dimethyl-propoxycarbonylamino)-2-hydroxy-3-phenyl-propionic acid methyl ester |
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Formula | C15 H21 N O5 |
Calculated formula | C15 H21 N O5 |
SMILES | O(C(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)C |
Title of publication | Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction |
Authors of publication | Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 358 - 372 |
a | 5.2982 ± 0.0003 Å |
b | 10.8741 ± 0.0006 Å |
c | 26.5635 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1530.41 ± 0.16 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 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 | 0.0322 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for significantly intense reflections | 0.077 |
Weighted residual factors for all reflections included in the refinement | 0.0789 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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