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Information card for entry 1506031
Preview
Coordinates | 1506031.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H22 O |
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Calculated formula | C22 H22 O |
SMILES | C[C@@H]1CC2=C([C@H]3[C@@H](C2=O)CCCC3)c2ccc3ccccc3c12.C[C@H]1CC2=C([C@@H]3[C@H](C2=O)CCCC3)c2ccc3ccccc3c12 |
Title of publication | Friedel-Crafts-type cyclization of 2,2-difluorovinyl ketones via alpha-fluorocarbocations and its application in domino cyclizations. |
Authors of publication | Ichikawa, Junji; Kaneko, Mikio; Yokota, Misaki; Itonaga, Masaaki; Yokoyama, Takaharu |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 15 |
Pages of publication | 3167 - 3170 |
a | 7.996 ± 0.005 Å |
b | 17.12 ± 0.009 Å |
c | 12.331 ± 0.007 Å |
α | 90° |
β | 105.079 ± 0.002° |
γ | 90° |
Cell volume | 1629.9 ± 1.6 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.0627 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.1584 |
Weighted residual factors for all reflections included in the refinement | 0.1598 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1506031.html
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Users of the data should acknowledge the original authors of the
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