Information card for entry 2012749

Structure parameters

• Chemical name: 13,21,35,43-tetramethyl-3,6,9,17,25,28,31,39,46,49- decaoxaheptacyclo[21.21.3^1,23^.3^11,33^.0^2,41^.0^10,15^.0^19,24^.0^32,37^] pentaconta-1,10,12,14,19,21,23,32,34,36,41,43-dodecaene
• Formula: C44 H52 O10
• Calculated formula: C44 H52 O10
• Title of publication: 1,3-Bridged <i>p</i>-methyloctahomotetraoxacalix[4]arene‒bis-crown-3
• Authors of publication: Masci, Bernardo; Colapietro, Marcello; Portalone, Gustavo; Saccheo, Stefano
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o345 - o346
• a: 29.982 ± 0.005 Å
• b: 14.154 ± 0.003 Å
• c: 27.612 ± 0.002 Å
• α: 90°
• β: 137.36 ± 0.03°
• γ: 90°
• Cell volume: 7937 ± 5 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: 0.052
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections: 0.853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes