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Information card for entry 1503725
Preview
Coordinates | 1503725.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C7 H7 F3 N2 O2 S |
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Calculated formula | C7 H7 F3 N2 O2 S |
SMILES | S(=O)(=O)(N=n1cc(ccc1)C)C(F)(F)F |
Title of publication | Direct transfer of the sulfonylimino group of imino-lambda3-bromane to N-heterocycles and trialkylamines: synthesis of N-iminoammonium ylides under metal-free conditions. |
Authors of publication | Ochiai, Masahito; Kawano, Yufuko; Kaneaki, Takao; Tada, Norihiro; Miyamoto, Kazunori |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 2 |
Pages of publication | 281 - 284 |
a | 10.483 ± 0.005 Å |
b | 7.23 ± 0.004 Å |
c | 13.081 ± 0.006 Å |
α | 90° |
β | 107.27 ± 0.04° |
γ | 90° |
Cell volume | 946.7 ± 0.8 Å3 |
Cell temperature | 93.1 K |
Number of distinct elements | 6 |
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 | 0.0415 |
Weighted residual factors for all reflections included in the refinement | 0.1522 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.195 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1503725.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503725.cif |
39024 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503725 via cif-deposit CGI script. |
1503725.cif |
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Users of the data should acknowledge the original authors of the
structural data.