Information card for entry 7131074

Structure parameters

• Formula: C85 H82 Cl2 N8
• Calculated formula: C85 H82 Cl2 N8
• Title of publication: Chiral emissive porous organic cages.
• Authors of publication: Sun, Yu-Ling; Wang, Zhen; Ma, Hui; Zhang, Qing-Pu; Yang, Bin-Bin; Meng, Xianggao; Zhang, Yaohua; Zhang, Chun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 3
• Pages of publication: 302 - 305
• a: 24.8853 ± 0.0002 Å
• b: 24.8853 ± 0.0002 Å
• c: 24.8853 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15410.9 ± 0.2 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 195
• Hermann-Mauguin space group symbol: P 2 3
• Hall space group symbol: P 2 2 3
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No