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Information card for entry 4108432
Preview
Coordinates | 4108432.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H18 N2 O5 |
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Calculated formula | C14 H18 N2 O5 |
SMILES | O=CNC1CCCCC1.OC(=O)c1cc(N(=O)=O)ccc1 |
Title of publication | On the Two-Component Microwave-Mediated Reaction of Isonitriles with Carboxylic Acids: Regarding Alleged Formimidate Carboxylate Mixed Anhydrides |
Authors of publication | Xuechen Li; Yu Yuan; William F. Berkowitz; Louis J. Todaro; Samuel J. Danishefsky |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 13222 - 13224 |
a | 11.439 ± 0.002 Å |
b | 11.76 ± 0.002 Å |
c | 10.777 ± 0.002 Å |
α | 90° |
β | 97.55 ± 0.03° |
γ | 90° |
Cell volume | 1437.2 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0743 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1048 |
Weighted residual factors for all reflections included in the refinement | 0.1171 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4108432.html
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