Information card for entry 7203507

Structure parameters

• Formula: C107 H176 O4
• Calculated formula: C107 H176 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: 15.6 ± 0.005 Å
• b: 19.664 ± 0.006 Å
• c: 33.103 ± 0.01 Å
• α: 85.879 ± 0.005°
• β: 76.899 ± 0.005°
• γ: 87.243 ± 0.005°
• Cell volume: 9859 ± 5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.3422
• Residual factor for significantly intense reflections: 0.1136
• Weighted residual factors for significantly intense reflections: 0.2675
• Weighted residual factors for all reflections included in the refinement: 0.4111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No