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Information card for entry 8106890
Preview
Coordinates | 8106890.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (E)-4-(2-(4-(diethylamino)phenyl)diazen-1-ium-1-yl)benzenesulfonate monohydrate |
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Formula | C16 H21 N3 O4 S |
Calculated formula | C16 H21 N3 O4 S |
Title of publication | Crystal structure of (E)-4-(2-(4-(diethylamino)phenyl)diazen-1-ium-1-yl)benzenesulfonate monohydrate |
Authors of publication | Oh, In-Hwan; Park, Seong-Hun |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2016 |
Journal volume | 231 |
Journal issue | 2 |
Pages of publication | 409 - 410 |
a | 8.402 ± 0.002 Å |
b | 9.035 ± 0.002 Å |
c | 11.692 ± 0.003 Å |
α | 102.382 ± 0.004° |
β | 109.303 ± 0.004° |
γ | 97.122 ± 0.004° |
Cell volume | 799.7 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0552 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.1078 |
Weighted residual factors for all reflections included in the refinement | 0.1172 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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