Information card for entry 7158914

Structure parameters

• Common name: cyclomer-1
• Chemical name: 1-trimer
• Formula: C42.5 H24.5 Cl1.5 O12
• Calculated formula: C42.5 H24.5 Cl1.5 O12
• 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: 10.888 ± 0.001 Å
• b: 13.881 ± 0.0012 Å
• c: 25.599 ± 0.002 Å
• α: 91.993 ± 0.008°
• β: 97.768 ± 0.008°
• γ: 104.694 ± 0.004°
• Cell volume: 3698.4 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No