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Information card for entry 4512956
Preview
Coordinates | 4512956.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H50 Cl2 N2 O8 |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4512956.html
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