Information card for entry 4512955

Structure parameters

• Formula: C47 H42 Cl2 N2 O7
• Calculated formula: C47 H42 Cl2 N2 O7
• 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: 29.465 ± 0.002 Å
• b: 8.1667 ± 0.0006 Å
• c: 22.2934 ± 0.0015 Å
• α: 90°
• β: 126.647 ± 0.001°
• γ: 90°
• Cell volume: 4304.1 ± 0.5 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: 0.0582
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No