Information card for entry 7203506

Structure parameters

• Formula: C112 H180 O4
• Calculated formula: C112 H180 O4
• Title of publication: Supersized bilayers based on an O-alkyl substituted calix[4]arene
• Authors of publication: Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 707
• a: 32.672 ± 0.008 Å
• b: 15.404 ± 0.004 Å
• c: 19.582 ± 0.005 Å
• α: 90°
• β: 92.376 ± 0.004°
• γ: 90°
• Cell volume: 9847 ± 4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2321
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.2391
• Weighted residual factors for all reflections included in the refinement: 0.3371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No