Information card for entry 7134859

Structure parameters

• Formula: C58 H58 N2 O2
• Calculated formula: C58 H58 N2 O2
• 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: 9.7222 ± 0.0008 Å
• b: 15.4668 ± 0.0009 Å
• c: 16.2481 ± 0.001 Å
• α: 75.227 ± 0.005°
• β: 89.808 ± 0.006°
• γ: 72.19 ± 0.006°
• Cell volume: 2241.9 ± 0.3 ų
• Cell temperature: 195 ± 100 K
• Ambient diffraction temperature: 195 ± 100 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: 0.2453
• Residual factor for significantly intense reflections: 0.1897
• Weighted residual factors for significantly intense reflections: 0.479
• Weighted residual factors for all reflections included in the refinement: 0.5264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.758
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No