Information card for entry 7118125

Structure parameters

• Chemical name: 11.35
• Formula: C72.5 H101.76 N12 O7.38
• Calculated formula: C72.5 H96 N12 O7.375
• Title of publication: Dynamic flow synthesis of porous organic cages.
• Authors of publication: Briggs, Michael E.; Slater, Anna G.; Lunt, Neil; Jiang, Shan; Little, Marc A.; Greenaway, Rebecca L.; Hasell, Tom; Battilocchio, Claudio; Ley, Steven V.; Cooper, Andrew I.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 98
• Pages of publication: 17390 - 17393
• a: 21.656 ± 0.002 Å
• b: 19.8282 ± 0.0019 Å
• c: 22.267 ± 0.003 Å
• α: 90°
• β: 106.048 ± 0.0019°
• γ: 90°
• Cell volume: 9188.8 ± 1.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.1878
• Residual factor for significantly intense reflections: 0.131
• Weighted residual factors for significantly intense reflections: 0.2925
• Weighted residual factors for all reflections included in the refinement: 0.3209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.683
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No