Information card for entry 2222180

Structure parameters

• Chemical name: 5,11,17,23-Tetra-<i>tert</i>-butyl-25,27-bis[2-(4- nitrophenoxy)ethoxy]calix[4]arene-26,28-diol acetonitrile tetrasolvate
• Formula: C68 H82 N6 O10
• Calculated formula: C68 H82 N6 O10
• Title of publication: 5,11,17,23-Tetra-<i>tert</i>-butyl-25,27-bis[2-(4-nitrophenoxy)ethoxy]calix[4]arene-26,28-diol acetonitrile tetrasolvate
• Authors of publication: Yuan, Jiu-Mao; Gao, Yong-Hong; Ma, Jian-Ping; Guo, Dian-Shun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1336 - o1337
• a: 13.195 ± 0.003 Å
• b: 13.388 ± 0.003 Å
• c: 19.692 ± 0.005 Å
• α: 71.978 ± 0.003°
• β: 84.022 ± 0.003°
• γ: 82.23 ± 0.003°
• Cell volume: 3270.5 ± 1.3 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: 0.1572
• Residual factor for significantly intense reflections: 0.114
• Weighted residual factors for significantly intense reflections: 0.3039
• Weighted residual factors for all reflections included in the refinement: 0.3492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes