Information card for entry 7244903

Structure parameters

• Formula: C56 H60 I4 O8
• Calculated formula: C56 H60 I4 O8
• Title of publication: Halogen-bonded architectures of multivalent calix[4]arenes
• Authors of publication: Gullo, Maria Chiara; Marchiò, Luciano; Casnati, Alessandro; Baldini, Laura
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 13.2357 ± 0.0016 Å
• b: 15.3241 ± 0.0018 Å
• c: 15.3955 ± 0.0019 Å
• α: 112.406 ± 0.002°
• β: 101.238 ± 0.002°
• γ: 99.482 ± 0.002°
• Cell volume: 2731.4 ± 0.6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0557
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No