Information card for entry 7241322

Structure parameters

• Common name: TPCB
• Chemical name: rctt-tetrakis-(5-pyrimidyl)-cyclobutane
• Formula: C20 H16 N8
• Calculated formula: C20 H16 N8
• Title of publication: Application of a tetrapyrimidyl cyclobutane synthesized in the organic solid state: a halogen-bonded supramolecular ladder
• Authors of publication: Sinnwell, Michael A.; Santana, Carlos; Bosch, Eric; MacGillivray, Len R.; Groeneman , Ryan
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 15.666 ± 0.0016 Å
• b: 7.1513 ± 0.0007 Å
• c: 17.0738 ± 0.0017 Å
• α: 90°
• β: 111.938 ± 0.005°
• γ: 90°
• Cell volume: 1774.3 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0677
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No