Information card for entry 7245683

Structure parameters

• Common name: 1SeCB
• Formula: C14 H11 N Se
• Calculated formula: C14 H11 N Se
• Title of publication: 4′-Alkylseleno-4-cyanobiphenyls, nSeCB: synthesis and substituent effects on the phase-transition and liquid crystalline behaviors
• Authors of publication: Arakawa, Yuki; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 9.4234 ± 0.0003 Å
• b: 14.1143 ± 0.0004 Å
• c: 13.3244 ± 0.0004 Å
• α: 90°
• β: 99.951 ± 0.003°
• γ: 90°
• Cell volume: 1745.55 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No