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Information card for entry 4026751
Preview
Coordinates | 4026751.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 6,7-dibenzyloxy-3-oxo-tetrahydro-pyrrolo[1,2-c]oxaza-5-carbonitrile |
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Formula | C21 H20 N2 O4 |
Calculated formula | C21 H20 N2 O4 |
SMILES | O([C@@H]1[C@H](OCc2ccccc2)[C@H]2N(C(=O)OC2)[C@H]1C#N)Cc1ccccc1 |
Title of publication | Stereoselective Total Synthesis of Aminoiminohexitols via Carbamate Annulation |
Authors of publication | Anna L. Win-Mason; Seino A. K. Jongkees; Stephen G. Withers; Peter C. Tyler; Mattie S. M. Timmer; Bridget L. Stocker |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 9611 - 9621 |
a | 5.6331 ± 0.0003 Å |
b | 9.5901 ± 0.0006 Å |
c | 32.6895 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1765.95 ± 0.18 Å3 |
Cell temperature | 296.15 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 | 0.084563 |
Residual factor for significantly intense reflections | 0.051163 |
Weighted residual factors for all reflections included in the refinement | 0.102433 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.976826 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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