Information card for entry 7239633

Structure parameters

• Formula: C122 H150 N8 O15
• Calculated formula: C122 H150 N8 O15
• Title of publication: Preparation and in vitro bioactivity evaluation of N-heterocyclic-linked dihomooxacalix[4]arene derivatives
• Authors of publication: An, Lin; Liu, Jia-dong; Peng, Xian-na; Zheng, You-guang; Wang, Chan; Huang, Tong-hui
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 70
• Pages of publication: 41287
• a: 24.775 ± 0.002 Å
• b: 25.959 ± 0.002 Å
• c: 18.608 ± 0.0017 Å
• α: 90°
• β: 114.51 ± 0.002°
• γ: 90°
• Cell volume: 10889 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No