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Information card for entry 7132810
Preview
Coordinates | 7132810.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H20 Cl N O2 |
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Calculated formula | C18 H20 Cl N O2 |
Title of publication | Synthesis, structure and stereodynamics of atropisomeric <i>N</i>-chloroamides. |
Authors of publication | Campbell, Aaron D. G.; Roper, Natalie J.; Waddell, Paul G.; Wills, Corinne; Dixon, Casey M.; Denton, Ross M.; Ermanis, Kristaps; Armstrong, Roly J. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 28 |
Pages of publication | 3818 - 3821 |
a | 8.3513 ± 0.0001 Å |
b | 13.4596 ± 0.0002 Å |
c | 15.583 ± 0.0002 Å |
α | 77.965 ± 0.001° |
β | 76.1 ± 0.001° |
γ | 77.207 ± 0.001° |
Cell volume | 1635.64 ± 0.04 Å3 |
Cell temperature | 150 ± 0.2 K |
Ambient diffraction temperature | 150 ± 0.2 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 | 0.0431 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.1056 |
Weighted residual factors for all reflections included in the refinement | 0.1083 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7132810.html
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