Information card for entry 7134856

Structure parameters

• Formula: C55 H52 Cl2 N2
• Calculated formula: C55 H52 Cl2 N2
• Title of publication: Positional isomerism-directed formation of hydrogen-bonded organic frameworks with distinct single-crystal transformation pathways.
• Authors of publication: Yang, Wenyan; Li, Lele; Xue, Xinlei; Deng, Shengyong; Wei, Peifa
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 70
• Pages of publication: 13113 - 13116
• a: 9.752 ± 0.0003 Å
• b: 15.4169 ± 0.0005 Å
• c: 15.7126 ± 0.0005 Å
• α: 103.388 ± 0.002°
• β: 92.384 ± 0.002°
• γ: 106.529 ± 0.002°
• Cell volume: 2188.48 ± 0.12 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No