Information card for entry 7232467

Structure parameters

• Formula: C19 H26 Cl4 Ir N3 O
• Calculated formula: C19 H26 Cl4 Ir N3 O
• Title of publication: Cooperative iridium complex-catalyzed synthesis of quinoxalines, benzimidazoles and quinazolines in water
• Authors of publication: Chakrabarti, Kaushik; Maji, Milan; Kundu, Sabuj
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 8
• Pages of publication: 1999
• a: 12.768 ± 0.003 Å
• b: 14.165 ± 0.003 Å
• c: 13.588 ± 0.003 Å
• α: 90°
• β: 111.994 ± 0.006°
• γ: 90°
• Cell volume: 2278.7 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No