Information card for entry 7230145

Structure parameters

• Formula: C24 H22 F2 N2 S2
• Calculated formula: C24 H22 F2 N2 S2
• SMILES: s1c2c3sc(CCCC)cc3c3nc4c(nc3c2cc1CCCC)cc(F)c(F)c4
• Title of publication: Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines
• Authors of publication: Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 12
• Pages of publication: 1669
• a: 4.9401 ± 0.0005 Å
• b: 27.416 ± 0.003 Å
• c: 15.4519 ± 0.0014 Å
• α: 90°
• β: 95.408 ± 0.002°
• γ: 90°
• Cell volume: 2083.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No