Information card for entry 7133978

Structure parameters

• Formula: C56 H36 Cl2 N10
• Calculated formula: C56 H36 Cl2 N10
• Title of publication: Efficient synthesis of porous triazine-based macrocycles with 22-carbon and 6-nitrogen ring atoms and their adsorption/desorption of non-volatile organic compounds.
• Authors of publication: Gu, Zi-Ting; Chen, Hao-Chin; Yang, Jin-Peng; Hsu, Hsiu-Fu; Kuo, Ting-Shen; Lai, Long-Li
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 99
• Pages of publication: 14830 - 14833
• a: 13.5359 ± 0.0011 Å
• b: 14.6708 ± 0.0011 Å
• c: 16.4233 ± 0.0013 Å
• α: 102.627 ± 0.003°
• β: 100.704 ± 0.003°
• γ: 114.701 ± 0.003°
• Cell volume: 2746.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0563
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No