Information card for entry 2022322

Structure parameters

• Chemical name: <i>rtct</i>-1,2,3,4-Tetrakis(pyridin-4-yl)cyclobutane
• Formula: C24 H20 N4
• Calculated formula: C24 H20 N4
• SMILES: n1ccc(C2C(C(C2c2ccncc2)c2ccncc2)c2ccncc2)cc1
• Title of publication: Honeycomb molecular network based upon a hydrate of 4,6-dichlororesorcinol and the photoproduct <i>rtct</i>-tetrakis(pyridin-4-yl)cyclobutane
• Authors of publication: Santana, Carlos L.; Battle, Jessica D.; Unruh, Daniel K.; Groeneman, Ryan H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 2
• Pages of publication: 111 - 115
• a: 29.76986 ± 0.00018 Å
• b: 8.91767 ± 0.00004 Å
• c: 14.70912 ± 0.00008 Å
• α: 90°
• β: 99.2973 ± 0.0006°
• γ: 90°
• Cell volume: 3853.65 ± 0.04 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes