Information card for entry 7228323

Structure parameters

• Formula: C126 H156 N24
• Calculated formula: C126 H156 N24
• Title of publication: Modular assembly of porous organic cage crystals: isoreticular quasiracemates and ternary co-crystal
• Authors of publication: Tothadi, Srinu; Little, Marc A.; Hasell, Tom; Briggs, Michael E.; Chong, Samantha Y.; Liu, Ming; Cooper, Andrew I.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 24.586 ± 0.003 Å
• b: 24.586 ± 0.003 Å
• c: 24.586 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14862 ± 3 ų
• Cell temperature: 400 ± 2 K
• Ambient diffraction temperature: 400 ± 2 K
• Number of distinct elements: 3
• Space group number: 196
• Hermann-Mauguin space group symbol: F 2 3
• Hall space group symbol: F 2 2 3
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No