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Information card for entry 7230710
Preview
Coordinates | 7230710.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H45.92 Br0.08 N6 O12 S2 |
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Calculated formula | C42 H45.9162 Br0.0838 N6 O12 S2 |
Title of publication | The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond |
Authors of publication | Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J. |
Journal of publication | RSC Advances |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 33 |
Pages of publication | 18672 |
a | 17.3674 ± 0.0003 Å |
b | 11.1504 ± 0.0001 Å |
c | 23.6192 ± 0.0003 Å |
α | 90° |
β | 109.303 ± 0.002° |
γ | 90° |
Cell volume | 4316.81 ± 0.11 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0877 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.1147 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7230710.html
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