Information card for entry 7231934

Structure parameters

• Formula: C64 H68 N4 O12
• Calculated formula: C64 H68 N4 O12
• Title of publication: Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding
• Authors of publication: Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 3
• Pages of publication: 439
• a: 18.745 ± 0.007 Å
• b: 18.745 ± 0.007 Å
• c: 16.688 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5864 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No