Information card for entry 7240196

Structure parameters

• Formula: C24 H22 O4
• Calculated formula: C24 H22 O4
• Title of publication: Role of intermolecular interactions and conformational changes in polymorphism and vitrification process of 2,2''-bis-substituted para-terphenyls
• Authors of publication: Nowok, Andrzej; Kus, Piotr; Dulski, Mateusz; Kusz, Joachim; Ksiazek, Maria; Zubko, Maciej; Szeremeta, Anna; Pawlus, Sebastian
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 5.7523 ± 0.0002 Å
• b: 19.3159 ± 0.0007 Å
• c: 8.7036 ± 0.0004 Å
• α: 90°
• β: 97.524 ± 0.004°
• γ: 90°
• Cell volume: 958.74 ± 0.07 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 3
• 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: 0.0482
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No