Information card for entry 7111260

Structure parameters

• Formula: C32 H70.5 Cl4 N8 O31.25
• Calculated formula: C32 H54 Cl4 N8 O31.25
• Title of publication: Dual-mode recognition of oxalate by protonated azacryptate hosts; conformational response of the guest maximizes π-stacking interactions
• Authors of publication: Nelson, Jane; Nieuwenhuyzen, Mark; Pál, Ibolya; Town, Raewyn M.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 19
• Pages of publication: 2266 - 2267
• a: 10.4712 ± 0.0012 Å
• b: 19.57 ± 0.002 Å
• c: 26.936 ± 0.003 Å
• α: 71.81 ± 0.002°
• β: 89.512 ± 0.002°
• γ: 81.701 ± 0.002°
• Cell volume: 5185.1 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1421
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.2822
• Weighted residual factors for all reflections included in the refinement: 0.3115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No