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Information card for entry 7153330
Preview
Coordinates | 7153330.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H16 I N O2 |
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Calculated formula | C15 H16 I N O2 |
SMILES | Ic1ccc(N2C(=O)OC(C)(C/C=C\C)C2=C)cc1 |
Title of publication | Synthesis of oxazolidinones initiated by regio- and diastereo-controlled crotylation of alpha-dicarbonyl compounds. |
Authors of publication | Shibata, Ikuya; Kojima, Ryota; Tsunoi, Shinji; Nozaki, Takashi; Watanabe, Tomonari; Ninomiya, Atsushi; Yasuda, Makoto; Baba, Akio |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2010 |
Journal volume | 8 |
Journal issue | 9 |
Pages of publication | 2009 - 2011 |
a | 10.6005 ± 0.0009 Å |
b | 11.9567 ± 0.0009 Å |
c | 12.2672 ± 0.0008 Å |
α | 90° |
β | 100.851 ± 0.002° |
γ | 90° |
Cell volume | 1527 ± 0.2 Å3 |
Cell temperature | 296.1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.0573 |
Weighted residual factors for all reflections included in the refinement | 0.0827 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.618 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7153330.cif |
93026 | 2014-01-12 | cif/ Adding structures of 7153330, 7153331, 7153332, 7153333, 7153334 via cif-deposit CGI script. |
7153330.cif |
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Users of the data should acknowledge the original authors of the
structural data.