Information card for entry 7244256

Structure parameters

• Formula: C27 H18 N2
• Calculated formula: C27 H18 N2
• Title of publication: D–π–A-type fluorinated tolanes with a diphenylamino group: crystal polymorphism formation and photophysical behavior
• Authors of publication: Yamada, Shigeyuki; Kobayashi, Kazuki; Morita, Masato; Konno, Tsutomu
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 7.6818 ± 0.0004 Å
• b: 9.1974 ± 0.0003 Å
• c: 15.4502 ± 0.0005 Å
• α: 76.568 ± 0.003°
• β: 78.786 ± 0.004°
• γ: 73.558 ± 0.004°
• Cell volume: 1008.58 ± 0.07 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No