Information card for entry 4511926

Structure parameters

• Common name: RsC3, bpe, acetonitrile
• Chemical name: C-propylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)ethylene, acetonitrile
• Formula: C143.2 H142.8 N15.6 O16
• Calculated formula: C143.6 H121 N16 O16
• 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: 18.323 ± 0.002 Å
• b: 19.33 ± 0.002 Å
• c: 19.995 ± 0.003 Å
• α: 95.078 ± 0.002°
• β: 98.447 ± 0.002°
• γ: 110.844 ± 0.002°
• Cell volume: 6470.3 ± 1.4 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: 0.1159
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.219
• Weighted residual factors for all reflections included in the refinement: 0.2571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No