Information card for entry 7158915

Structure parameters

• Common name: cyclomer-1
• Chemical name: 1-pentamer
• Formula: C78 H56 O22
• Calculated formula: C78 H56 O22
• Title of publication: Porous Materials Formed by Four Self-construction Processes
• Authors of publication: Liu, Qiuhua; Shen, Xiaorong; Dai, Ye; Zhang, Mengchen; Zhou, Zaichun
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 9.672 ± 0.002 Å
• b: 11.175 ± 0.003 Å
• c: 15.326 ± 0.003 Å
• α: 93.479 ± 0.004°
• β: 93.467 ± 0.004°
• γ: 92.039 ± 0.004°
• Cell volume: 1649.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No