Information card for entry 1572914

Structure parameters

• Formula: C22 H19 Cl3 N2 O2
• Calculated formula: C22 H19 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: 6.027 ± 0.003 Å
• b: 11.706 ± 0.006 Å
• c: 15.295 ± 0.009 Å
• α: 71.538 ± 0.019°
• β: 81.375 ± 0.019°
• γ: 89.527 ± 0.014°
• Cell volume: 1011.1 ± 0.9 ų
• 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: 0.3614
• Residual factor for significantly intense reflections: 0.1321
• Weighted residual factors for significantly intense reflections: 0.2983
• Weighted residual factors for all reflections included in the refinement: 0.438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No