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Information card for entry 1572916
Preview
Coordinates | 1572916.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H23 Cl3 N2 O2 |
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Calculated formula | C16 H23 Cl3 N2 O2 |
Title of publication | Dichlorine-Pyridine N-oxide Halogen-Bonded Complexes |
Authors of publication | Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Puttreddy, Rakesh R.; Rissanen, Kari |
Journal of publication | Chemical Science |
Year of publication | 2024 |
a | 7.2228 ± 0.0013 Å |
b | 8.5908 ± 0.0016 Å |
c | 8.6321 ± 0.0017 Å |
α | 68.449 ± 0.006° |
β | 65.454 ± 0.006° |
γ | 78.43 ± 0.007° |
Cell volume | 452.42 ± 0.15 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0479 |
Residual factor for significantly intense reflections | 0.0339 |
Weighted residual factors for significantly intense reflections | 0.0848 |
Weighted residual factors for all reflections included in the refinement | 0.0954 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
295572 (current) | 2024-10-22 | cif/ Adding structures of 1572907, 1572908, 1572909, 1572910, 1572911, 1572912, 1572913, 1572914, 1572915, 1572916 via cif-deposit CGI script. |
1572916.cif |
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Users of the data should acknowledge the original authors of the
structural data.