Information card for entry 7158625

Structure parameters

• Formula: C51 H34 Cl2 I2 N2 O4
• Calculated formula: C51 H34 Cl2 I2 N2 O4
• Title of publication: Organocatalytic enantioselective construction of axially chiral (1<i>H</i>)-isochromen-1-imines.
• Authors of publication: Wang, Ying; Yang, Yang; Xu, Shiyu; Huang, Aima; Chen, Lu; Xie, Yubao; Liu, Pengyutian; Hong, Liang; Li, Guofeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 16
• Pages of publication: 3277 - 3282
• a: 10.4688 ± 0.0001 Å
• b: 15.0424 ± 0.0001 Å
• c: 14.4588 ± 0.0001 Å
• α: 90°
• β: 104.344 ± 0.001°
• γ: 90°
• Cell volume: 2205.93 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No