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Information card for entry 8105935
Preview
Coordinates | 8105935.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H28 Br2 N2 O2 |
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Calculated formula | C11 H28 Br2 N2 O2 |
Title of publication | Crystal structure of N 1,N 3-bis(2-hydroxyethyl)-N 1, N 1,N 3,N 3-tetramethylpropane-1,3-diaminium dibromide, C11H28Br2N2O2 |
Authors of publication | Su, Chang-Ming; Wang, Chun-Hua; Hou, Gui-Ge |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2019 |
Journal volume | 234 |
Journal issue | 5 |
Pages of publication | 1055 - 1057 |
a | 12.0519 ± 0.0011 Å |
b | 12.667 ± 0.0012 Å |
c | 12.9161 ± 0.0012 Å |
α | 117.088 ± 0.003° |
β | 92.459 ± 0.001° |
γ | 108.199 ± 0.002° |
Cell volume | 1627.2 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1273 |
Residual factor for significantly intense reflections | 0.0645 |
Weighted residual factors for significantly intense reflections | 0.1455 |
Weighted residual factors for all reflections included in the refinement | 0.1632 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.904 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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