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Information card for entry 7233189
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Coordinates | 7233189.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H18 N2 O3 |
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Calculated formula | C19 H18 N2 O3 |
Title of publication | Spontaneous proton transfer in a series of amphoteric molecules under hydrostatic pressure |
Authors of publication | Yu, Binhong; Wang, Yi; Wang, Lingrui; Tan, Xiao; Zhang, Yumo; Wang, Kai; Li, Minjie; Zou, Bo; Zhang, Sean Xiao-An |
Journal of publication | Physical Chemistry Chemical Physics |
Year of publication | 2019 |
a | 17.361 ± 0.004 Å |
b | 25.237 ± 0.005 Å |
c | 7.5371 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3302.3 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.0907 |
Residual factor for significantly intense reflections | 0.0523 |
Weighted residual factors for significantly intense reflections | 0.1138 |
Weighted residual factors for all reflections included in the refinement | 0.1303 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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217139 (current) | 2019-07-18 | cif/ Adding structures of 7233189 via cif-deposit CGI script. |
7233189.cif |
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