Information card for entry 7221702

Structure parameters

• Formula: C36 H48 N2 O10
• Calculated formula: C36 H48 N2 O10
• Title of publication: Exocyclic self-assembly behaviors of carboxylic acid and lariat ether macrocyclic hosts: regulation by pendent arm
• Authors of publication: Gong, Shuling; Guo, Rong; Wang, Wei; Yang, Weiping; Chen, Yuanyin
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 5.7584 ± 0.0005 Å
• b: 10.5829 ± 0.0009 Å
• c: 14.5837 ± 0.0013 Å
• α: 103.242 ± 0.003°
• β: 95.682 ± 0.003°
• γ: 100.938 ± 0.003°
• Cell volume: 839.9 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1091
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No