Information card for entry 4512960

Structure parameters

• Common name: RsC1, bpea, MeCN
• Chemical name: C-Methylresorcin[4]arene, 1,2-Bis(4-pyridyl)ethane, Acetonitrile
• Formula: C52 H53 N4 O8
• Calculated formula: C52 H53 N4 O8
• Title of publication: Solvent-Induced Manipulation of Supramolecular Organic Frameworks
• Authors of publication: Patil, Rahul S.; Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 2781
• a: 11.318 ± 0.0017 Å
• b: 14.446 ± 0.002 Å
• c: 27.016 ± 0.004 Å
• α: 90°
• β: 94.706 ± 0.002°
• γ: 90°
• Cell volume: 4402.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1335
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No