Information card for entry 4512956

Structure parameters

• Formula: C48 H50 Cl2 N2 O8
• Calculated formula: C48 H50 Cl2 N2 O8
• SMILES: c1(c2cc[n+](Cc3cc(OC)c(OC)c(OC)c3)cc2)c2ccccc2c(c2ccccc12)c1cc[n+](cc1)Cc1cc(OC)c(OC)c(OC)c1.O1CCOCC1.[Cl-].[Cl-]
• Title of publication: Piezoluminescence and Liquid Crystallinity of 4,4′-(9,10-Anthracenediyl)bispyridinium Salts
• Authors of publication: Kohmoto, Shigeo; Chuko, Tomotaka; Hisamatsu, Shugo; Okuda, Yasuhiro; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 2723
• a: 29.546 ± 0.004 Å
• b: 8.2644 ± 0.0011 Å
• c: 22.337 ± 0.003 Å
• α: 90°
• β: 126.948 ± 0.0017°
• γ: 90°
• Cell volume: 4359 ± 1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.0928
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.78
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No