Information card for entry 4504506

Structure parameters

• Common name: none
• Chemical name: p-hexanoyl calix[4]arene. dioxane
• Formula: C56 H72 O10
• Calculated formula: C52 H36 O13.03
• Title of publication: Inclusion of Terpenes bypara-Acyl Calix[4]arenes
• Authors of publication: Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 132
• a: 15.511 ± 0.002 Å
• b: 15.511 ± 0.002 Å
• c: 22.398 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5388.8 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c :2
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.2346
• Residual factor for significantly intense reflections: 0.11
• Weighted residual factors for significantly intense reflections: 0.2997
• Weighted residual factors for all reflections included in the refinement: 0.3693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No