Information card for entry 1546120

Structure parameters

• Formula: C142.09 H188.18 Cl5.5 N24 O9.92
• Calculated formula: C140.408 H166.74 Cl5.4997 N24 O9.9239
• Title of publication: Chirality as a tool for function in porous organic cages.
• Authors of publication: Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I.
• Journal of publication: Nanoscale
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 20
• Pages of publication: 6783 - 6790
• a: 17.5575 ± 0.0007 Å
• b: 17.5575 ± 0.0007 Å
• c: 28.6921 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7659.8 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 150
• Hermann-Mauguin space group symbol: P 3 2 1
• Hall space group symbol: P 3 2"
• Residual factor for all reflections: 0.1435
• Residual factor for significantly intense reflections: 0.1285
• Weighted residual factors for significantly intense reflections: 0.3302
• Weighted residual factors for all reflections included in the refinement: 0.3421
• Goodness-of-fit parameter for all reflections included in the refinement: 2.372
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No