Information card for entry 2206118

Structure parameters

• Common name: p-cumylcalix[4]arene‒para-xylene (1/1)
• Chemical name: 4-(2-Phenylisopropyl)calix[4]arene‒1,4-dimethylbenzene (1/1)
• Formula: C72 H74 O4
• Calculated formula: C72 H70 O4
• Title of publication: <i>p</i>-Cumylcalix[4]arene‒<i>para</i>-xylene (1/1)
• Authors of publication: Abdelhak, Ettahiri; Merle, Daphne; Perrin, Monique; Thozet, Alain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2001 - o2002
• a: 14.66 ± 0.03 Å
• b: 12.62 ± 0.03 Å
• c: 15.14 ± 0.03 Å
• α: 90°
• β: 96.62 ± 0.03°
• γ: 90°
• Cell volume: 2782 ± 10 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes