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Information card for entry 1505887
Preview
Coordinates | 1505887.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H18 N2 O5 |
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Calculated formula | C14 H18 N2 O5 |
SMILES | N(C)(C)c1ccc(cc1)/C=C(N(=O)=O)\C(O)C(=O)OCC |
Title of publication | Hydroxyalkylation of conjugated nitroalkenes with activated nonenolizable carbonyl compounds. |
Authors of publication | Deb, Indubhusan; Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N. |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 6 |
Pages of publication | 1201 - 1204 |
a | 6.02 ± 0.0007 Å |
b | 15.08 ± 0.0013 Å |
c | 16.371 ± 0.0011 Å |
α | 90° |
β | 92.672 ± 0.003° |
γ | 90° |
Cell volume | 1484.6 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1566 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1108 |
Weighted residual factors for all reflections included in the refinement | 0.1383 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
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/1505887.html
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