Information card for entry 7152603

Structure parameters

• Formula: C34 H42 N2 O7
• Calculated formula: C34 H42 N2 O7
• Title of publication: Investigating the effect of macrocycle size in anion templated imidazolium-based interpenetrated and interlocked assemblies.
• Authors of publication: Spence, Graeme T.; White, Nicholas G.; Beer, Paul D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 36
• Pages of publication: 7282 - 7291
• a: 18.3395 ± 0.0006 Å
• b: 19.6643 ± 0.0005 Å
• c: 8.8486 ± 0.0002 Å
• α: 90°
• β: 100.766 ± 0.003°
• γ: 90°
• Cell volume: 3134.93 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.086
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections: 0.1692
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9337
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No