Information card for entry 7211729

Structure parameters

• Formula: C65 H94 Gd N2 O32 P S4
• Calculated formula: C65 H94 Gd N2 O32 P S4
• Title of publication: Calixarene C8-imidazolium interplay as a design strategy for penetrating organic bi-layers
• Authors of publication: Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 573
• a: 14.3621 ± 0.0002 Å
• b: 14.4461 ± 0.0002 Å
• c: 19.9814 ± 0.0003 Å
• α: 99.588 ± 0.001°
• β: 104.357 ± 0.001°
• γ: 106.15 ± 0.001°
• Cell volume: 3732.08 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No