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Information card for entry 7242260
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Coordinates | 7242260.cif |
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Original paper (by DOI) | HTML |
Common name | Sulfonamide chalcone |
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Chemical name | (E)-3-(2-methoxyphenyl)-1-(2-(phenylsulfonylamine)phenyl)prop-2-en-1-one |
Formula | C21 H16 N2 O5 S |
Calculated formula | C21 H16 N2 O5 S |
Title of publication | Second-order nonlinear optical properties of two chalcone derivatives: insights from sum-over-states |
Authors of publication | Custodio, Jean; d'Oliveira, Giulio Demetrius Creazo; Gotardo, Fernando; Cocca, Leandro; Boni, Leonardo De; Perez, Caridad; Napolitano, Hamilton; Osório, Francisco; Valverde, Clodoaldo |
Journal of publication | Physical Chemistry Chemical Physics |
Year of publication | 2021 |
a | 14.0149 ± 0.0016 Å |
b | 7.6562 ± 0.0009 Å |
c | 18.38 ± 0.002 Å |
α | 90° |
β | 101.242 ± 0.004° |
γ | 90° |
Cell volume | 1934.3 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 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 | 0.0857 |
Residual factor for significantly intense reflections | 0.0528 |
Weighted residual factors for significantly intense reflections | 0.1066 |
Weighted residual factors for all reflections included in the refinement | 0.1193 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/7242260.html
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