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Information card for entry 1506069
Preview
Coordinates | 1506069.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H14 F3 N O3 |
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Calculated formula | C18 H14 F3 N O3 |
SMILES | FC(F)(F)/C(=N\c1ccccc1)OC(=C\c1ccccc1)/C(=O)OC |
Title of publication | 2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds. |
Authors of publication | Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 15 |
Pages of publication | 3207 - 3210 |
a | 10.701 ± 0.002 Å |
b | 9.1912 ± 0.0018 Å |
c | 17.628 ± 0.004 Å |
α | 90° |
β | 90.69 ± 0.03° |
γ | 90° |
Cell volume | 1733.7 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0989 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0745 |
Weighted residual factors for all reflections included in the refinement | 0.0838 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506069.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506069.cif |
47972 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506069 via cif-deposit CGI script. |
1506069.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.