Information card for entry 7128360

Structure parameters

• Formula: C58 H68 N6
• Calculated formula: C58 H68 N6
• 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: 11.1919 ± 0.00007 Å
• b: 15.1847 ± 0.00008 Å
• c: 15.7355 ± 0.00008 Å
• α: 104.505 ± 0.0004°
• β: 91.577 ± 0.0005°
• γ: 105.639 ± 0.0005°
• Cell volume: 2480.11 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No