Information card for entry 4504426

Structure parameters

• Formula: C78 H70 O10
• Calculated formula: C78 H70 O10
• Title of publication: Structural Diversity of Methyl-Substituted Inclusion Complexes of Calix[5]arene
• Authors of publication: Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Dalgarno, Scott J.; Atwood, Jerry L.; Raston, Colin L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 2059
• a: 11.9659 ± 0.0006 Å
• b: 14.989 ± 0.006 Å
• c: 43.029 ± 0.004 Å
• α: 84.36 ± 0.01°
• β: 87.57 ± 0.01°
• γ: 78.03 ± 0.01°
• Cell volume: 7511 ± 3 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: 0.1103
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No