Information card for entry 2009955

Structure parameters

• Chemical name: 5,11,17,23-tetra-tert-butyl-25,26,27,28-[(5-methylfurfuryl)oxycarbonylmethoxy]- calix[4]arene
• Formula: C76 H88 O16
• Calculated formula: C76 H88 O16
• Title of publication: 5,11,17,23-Tetra-<i>tert</i>-butyl-25,26,27,28-[(5-methylfurfuryl)oxycarbonylmethoxy]calix[4]arene
• Authors of publication: Ferguson, George; Li, Yiwei; McKervey, M. Anthony; Madigan, Evelyn
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1320 - 1323
• a: 20.4313 ± 0.0016 Å
• b: 13.6266 ± 0.0015 Å
• c: 25.68 ± 0.002 Å
• α: 90°
• β: 92.863 ± 0.006°
• γ: 90°
• Cell volume: 7140.6 ± 1.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.164
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.093
• Goodness-of-fit parameter for significantly intense reflections: 2.32
• Diffraction radiation wavelength: 0.71067 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No