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Information card for entry 4037232
Preview
Coordinates | 4037232.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H24 N2 O6 |
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Calculated formula | C19 H24 N2 O6 |
SMILES | [C@H]1([C@H](C)N(C(=O)O1)C(=O)[C@@H]1[C@H](CO1)NC(=O)OC(C)(C)C)c1ccccc1 |
Title of publication | Synthetic Access to All Four Stereoisomers of Oxetin. |
Authors of publication | Kassir, Ahmad F.; Ragab, Sherif S.; Nguyen, Thao A. M.; Charnay-Pouget, Florence; Guillot, Régis; Scherrmann, Marie-Christine; Boddaert, Thomas; Aitken, David J. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 20 |
Pages of publication | 9983 - 9991 |
a | 9.2191 ± 0.0003 Å |
b | 6.1121 ± 0.0002 Å |
c | 16.3411 ± 0.0006 Å |
α | 90° |
β | 90.496 ± 0.002° |
γ | 90° |
Cell volume | 920.75 ± 0.05 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0694 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.102 |
Weighted residual factors for all reflections included in the refinement | 0.1081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4037232.html
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Users of the data should acknowledge the original authors of the
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