Information card for entry 7234612

Structure parameters

• Formula: C23 H31 N9
• Calculated formula: C23 H31 N9
• Title of publication: Binding Enabled Catalytic Activation of SO2 by Copper Koneramine Complexes at Ambient Conditions
• Authors of publication: Chahal, Manoj; Raje, Sakthi; Kotana, Gopichand; Angamuthu, Raja
• Journal of publication: Green Chemistry
• Year of publication: 2019
• a: 21.678 ± 0.002 Å
• b: 11.7948 ± 0.0013 Å
• c: 17.695 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4524.4 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No