Information card for entry 7128361

Structure parameters

• Formula: C92 H112 N12 O6
• Calculated formula: C92 H112 N12 O6
• Title of publication: Creating porosity in a trianglimine macrocycle by heterochiral pairing.
• Authors of publication: He, Donglin; Clowes, Rob; Little, Marc A.; Liu, Ming; Cooper, Andrew I.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 50
• Pages of publication: 6141 - 6144
• a: 14.3324 ± 0.0006 Å
• b: 14.3555 ± 0.0006 Å
• c: 25.1851 ± 0.0009 Å
• α: 89.815 ± 0.003°
• β: 77.839 ± 0.004°
• γ: 60.849 ± 0.004°
• Cell volume: 4393.8 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2118
• Weighted residual factors for all reflections included in the refinement: 0.2277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No