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Information card for entry 1506068
Preview
Coordinates | 1506068.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
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.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 | 11.279 ± 0.002 Å |
b | 13.083 ± 0.003 Å |
c | 13.556 ± 0.003 Å |
α | 101.72 ± 0.03° |
β | 108.92 ± 0.03° |
γ | 106.31 ± 0.03° |
Cell volume | 1718.2 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1318 |
Residual factor for significantly intense reflections | 0.0559 |
Weighted residual factors for significantly intense reflections | 0.1296 |
Weighted residual factors for all reflections included in the refinement | 0.1475 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506068.cif |
176729 | 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. |
1506068.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506068.cif |
47971 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506068 via cif-deposit CGI script. |
1506068.cif |
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Users of the data should acknowledge the original authors of the
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