Information card for entry 7063588

Structure parameters

• Formula: C34 H30 Cl2 N6 O2
• Calculated formula: C34 H30 Cl2 N6 O2
• Title of publication: Development of chiral modular bifunctional C2-symmetric bipyridine/phenanthroline-bipyrroloimidazolone ligands and application in noncovalent interaction-assisted enantioselective catalysis
• Authors of publication: Wang, Xi-Rui; Hu, Pan; Jing, Hui-Xian; Yu, Zhang-Biao; Yao, Zhen; Liu, Xiong-Wei; Zhang, Wen-Jing; Peng, Li-Jun; Liu, Xiong-Li
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 1138 - 1144
• a: 13.2041 ± 0.0003 Å
• b: 8.8612 ± 0.0003 Å
• c: 14.7734 ± 0.0003 Å
• α: 90°
• β: 92.657 ± 0.002°
• γ: 90°
• Cell volume: 1726.69 ± 0.08 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.1991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No