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Information card for entry 4029448
Preview
Coordinates | 4029448.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H15 F3 N2 O2 S |
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Calculated formula | C18 H15 F3 N2 O2 S |
Title of publication | Rhodium(III)-Catalyzed Intermolecular Amidation with Azides via C(sp(3))-H Functionalization. |
Authors of publication | Wang, Nuancheng; Li, Renhe; Li, Liubo; Xu, Shansheng; Song, Haibin; Wang, Baiquan |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 11 |
Pages of publication | 5379 - 5385 |
a | 12.393 ± 0.003 Å |
b | 10.745 ± 0.002 Å |
c | 13.09 ± 0.003 Å |
α | 90° |
β | 100.07 ± 0.03° |
γ | 90° |
Cell volume | 1716.2 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 all reflections | 0.0531 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.1101 |
Weighted residual factors for all reflections included in the refinement | 0.1176 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178473 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/94. |
4029448.cif |
119206 | 2014-07-05 | cif/ Updating files of 4029448 Original log message: Adding full bibliography for 4029448.cif. |
4029448.cif |
113806 | 2014-05-15 | cif/ Adding structures of 4029448 via cif-deposit CGI script. |
4029448.cif |
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Users of the data should acknowledge the original authors of the
structural data.