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Information card for entry 7110866
Preview
Coordinates | 7110866.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H17 N O3 |
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Calculated formula | C13 H17 N O3 |
SMILES | O=C(N[C@@](C(=O)C)([C@H](O)c1ccccc1)C)C.O=C(N[C@](C(=O)C)([C@@H](O)c1ccccc1)C)C |
Title of publication | Oxazole‒Carbonyl photocycloadditions: selectivity pattern and synthetic route to erythro α-amino, β-hydroxy ketones |
Authors of publication | Griesbeck, Axel G.; Fiege, Maren; Lex, Johann |
Journal of publication | Chemical Communications |
Year of publication | 2000 |
Journal issue | 7 |
Pages of publication | 589 |
a | 15.632 ± 0.001 Å |
b | 9.417 ± 0.001 Å |
c | 9.668 ± 0.001 Å |
α | 90° |
β | 111.1 ± 0.01° |
γ | 90° |
Cell volume | 1327.8 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.1224 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for significantly intense reflections | 0.0757 |
Weighted residual factors for all reflections included in the refinement | 0.0961 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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