Information card for entry 4504508

Structure parameters

• Common name: none
• Formula: C70 H94 O9
• Calculated formula: C62 H70.5 O9
• 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: 15.371 ± 0.003 Å
• b: 21.945 ± 0.004 Å
• c: 15.966 ± 0.003 Å
• α: 90°
• β: 90.07 ± 0.03°
• γ: 90°
• Cell volume: 5385.6 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2301
• Weighted residual factors for all reflections included in the refinement: 0.2343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.9726 Å
• Diffraction radiation type: -
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No