Information card for entry 4511925

Structure parameters

• Common name: RsC3, bpy, ethanol
• Chemical name: C-propylresorcinol[4]arene, 4,4'-bipyridine, ethanol
• Formula: C116 H117.7 N6 O19
• Calculated formula: C116 H116.2 N6 O19
• Title of publication: Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks
• Authors of publication: Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 5212
• a: 13.9236 ± 0.0011 Å
• b: 16.3535 ± 0.0013 Å
• c: 23.4788 ± 0.0019 Å
• α: 94.21 ± 0.001°
• β: 102.18 ± 0.001°
• γ: 95.903 ± 0.001°
• Cell volume: 5173.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No