Information card for entry 7129795

Structure parameters

• Formula: C22 H18 N4 O2
• Calculated formula: C23 H20 N4 O2
• Title of publication: C–H bond chlorination using nickel(ii) complexes of tetradentate amido-quinoline ligands
• Authors of publication: Adhikari, Sanjay; Sarkar, Aniruddha; Dhar, Basab Bijayi
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.835 ± 0.006 Å
• b: 7.929 ± 0.005 Å
• c: 15.763 ± 0.011 Å
• α: 100.17 ± 0.02°
• β: 92.23 ± 0.03°
• γ: 98.55 ± 0.03°
• Cell volume: 951 ± 1.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No