Information card for entry 7133188

Structure parameters

• Formula: C81 H106 N2 O18
• Calculated formula: C81 H106 N2 O18
• Title of publication: Vapochromic separation of toluene and pyridine azeotropes using adaptive macrocycle co-crystals.
• Authors of publication: Li, Bin; Wang, Yun; Wang, Yuan; Liu, Yue; Wang, Lu; Zhang, Zhi-Yuan; Li, Chunju
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 54
• Pages of publication: 6889 - 6892
• a: 12.3241 ± 0.0018 Å
• b: 33.684 ± 0.006 Å
• c: 20.229 ± 0.003 Å
• α: 90°
• β: 96.013 ± 0.004°
• γ: 90°
• Cell volume: 8351 ± 2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1246
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No