Information card for entry 7131321

Structure parameters

• Formula: C187.5 H293 Cl27 N24 O11.5
• Calculated formula: C176.5 H262 Cl11.9999 N24 O5.5
• Title of publication: Competitive aminal formation during the synthesis of a highly soluble, isopropyl-decorated imine porous organic cage.
• Authors of publication: Kearsey, Rachel J.; Tarzia, Andrew; Little, Marc A.; Brand, Michael C.; Clowes, Rob; Jelfs, Kim E.; Cooper, Andrew I.; Greenaway, Rebecca L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 25
• Pages of publication: 3731 - 3734
• a: 16.0941 ± 0.0013 Å
• b: 45.047 ± 0.004 Å
• c: 16.4682 ± 0.0015 Å
• α: 90°
• β: 105.336 ± 0.002°
• γ: 90°
• Cell volume: 11514.2 ± 1.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1259
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2502
• Weighted residual factors for all reflections included in the refinement: 0.2647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.5
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No