Information card for entry 4511923

Structure parameters

• Common name: RsC1, bpa, ethanol
• Chemical name: C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)acetylene, ethanol
• Formula: C128 H96 N8 O24
• Calculated formula: C128 H96 N8 O24
• 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: 14.663 ± 0.0005 Å
• b: 44.452 ± 0.0015 Å
• c: 18.3387 ± 0.0007 Å
• α: 90°
• β: 102.492 ± 0.002°
• γ: 90°
• Cell volume: 11670.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0709
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No