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Information card for entry 4027243
Preview
Coordinates | 4027243.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Organic |
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Chemical name | Organic |
Formula | C12 H10 N2 O6 |
Calculated formula | C12 H10 N2 O6 |
SMILES | O=N(=O)c1ccccc1[C@@]12N[C@@]1(CC(=O)O2)C(=O)OC.O=N(=O)c1ccccc1[C@]12N[C@]1(CC(=O)O2)C(=O)OC |
Title of publication | Substrate-Dependent Divergent Outcomes from Catalytic Reactions of Silyl-Protected Enol Diazoacetates with Nitrile Oxides: Azabicyclo[3.1.0]hexanes or 5-Arylaminofuran-2(3H)-ones |
Authors of publication | Xinfang Xu; Dmitry Shabashov; Peter Y. Zavalij; Michael P. Doyle |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 5313 - 5317 |
a | 6.8882 ± 0.0005 Å |
b | 20.8439 ± 0.0015 Å |
c | 8.2554 ± 0.0006 Å |
α | 90° |
β | 90.028 ± 0.001° |
γ | 90° |
Cell volume | 1185.29 ± 0.15 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0379 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.0702 |
Weighted residual factors for all reflections included in the refinement | 0.0714 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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