Information card for entry 7212668

Structure parameters

• Common name: 25, 26. 27. 28-tetrahexadecoxycalix(4)arene
• Formula: C92 H162 O9
• Calculated formula: C92 H152 O9
• Title of publication: Mapping out the diversity of interplay of O-alkylated calix[4]arenes
• Authors of publication: Martin, Adam D.; Sobolev, Alexandre N.; Raston, Colin L.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2666
• a: 16.7708 ± 0.0005 Å
• b: 18.7282 ± 0.0004 Å
• c: 29.5329 ± 0.0006 Å
• α: 90.194 ± 0.002°
• β: 97.457 ± 0.002°
• γ: 91.695 ± 0.002°
• Cell volume: 9193.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3621
• Residual factor for significantly intense reflections: 0.1041
• Weighted residual factors for significantly intense reflections: 0.2066
• Weighted residual factors for all reflections included in the refinement: 0.2629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No