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Information card for entry 7057833
Preview
Coordinates | 7057833.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | DACSC |
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Formula | C24 H29 Cl N2 O5 S |
Calculated formula | C24 H25 Cl N2 O5 S |
Title of publication | Synthesis, growth and characterization of a new acentric 4-[4-(4-dimethylamino-phenyl)buta-1,3-dienyl]-1-methyl pyridinium p-chlorobenzenesulfonate dihydrate crystal for nonlinear optical applications |
Authors of publication | Sundaram, S. John; Ramaclus, Jerald V.; Antony, Priya; Jaccob, M.; Sagayaraj, P. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2018 |
Journal volume | 42 |
Journal issue | 23 |
Pages of publication | 18865 |
a | 38.585 ± 0.002 Å |
b | 6.8672 ± 0.0004 Å |
c | 18.7605 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4971 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.1103 |
Residual factor for significantly intense reflections | 0.0874 |
Weighted residual factors for significantly intense reflections | 0.2183 |
Weighted residual factors for all reflections included in the refinement | 0.2444 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7057833.html
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