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Information card for entry 4030543
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Coordinates | 4030543.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | methyloxazinane |
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Chemical name | ((2R,4aS,6aR,7R,9aS)-2-methyloctahydrofuro[3',4':2,3]furo[3,4-d][1,3]oxazin-7-yl)methanol |
Formula | C10 H17 N O4 |
Calculated formula | C10 H17 N O4 |
SMILES | O1C[C@]23N[C@H](OC[C@@H]3CO[C@H]2[C@H]1CO)C |
Title of publication | Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives. |
Authors of publication | Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 80 |
Journal issue | 2 |
Pages of publication | 1136 |
a | 7.6184 ± 0.0003 Å |
b | 9.1016 ± 0.0004 Å |
c | 15.0206 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1041.52 ± 0.08 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 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 | 0.0463 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.1109 |
Weighted residual factors for all reflections included in the refinement | 0.1281 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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