Information card for entry 7239734

Structure parameters

• Formula: C43 H48 O7
• Calculated formula: C43 H48 O7
• Title of publication: Weak intermolecular interaction directed assembly of calix[4]arene derivatives
• Authors of publication: Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 46
• Pages of publication: 7114
• a: 10.969 ± 0.002 Å
• b: 18.363 ± 0.003 Å
• c: 19.253 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3878 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2232
• Weighted residual factors for all reflections included in the refinement: 0.2534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No