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Information card for entry 1556178
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Coordinates | 1556178.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H21 N O S |
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Calculated formula | C23 H21 N O S |
Title of publication | Auxiliary-enabled Pd-catalyzed direct arylation of methylene C(sp3)-H bond of cyclopropanes: highly diastereoselective assembling of di- and trisubstituted cyclopropanecarboxamides. |
Authors of publication | Parella, Ramarao; Gopalakrishnan, Bojan; Babu, Srinivasarao Arulananda |
Journal of publication | Organic letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 13 |
Pages of publication | 3238 - 3241 |
a | 8.957 ± 0.002 Å |
b | 12.165 ± 0.004 Å |
c | 17.911 ± 0.005 Å |
α | 90.195 ± 0.016° |
β | 104.25 ± 0.02° |
γ | 90.15 ± 0.017° |
Cell volume | 1891.5 ± 0.9 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 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 | 0.1397 |
Residual factor for significantly intense reflections | 0.0847 |
Weighted residual factors for significantly intense reflections | 0.2016 |
Weighted residual factors for all reflections included in the refinement | 0.2418 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
Diffraction radiation wavelength | 0.71073 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/1556178.html
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Users of the data should acknowledge the original authors of the
structural data.