Information card for entry 7231935

Structure parameters

• Formula: C44 H48 O12
• Calculated formula: C44 H48 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: 17.9565 ± 0.0016 Å
• b: 17.9565 ± 0.0016 Å
• c: 12.1543 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3919 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No