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Information card for entry 7248220
Preview
Coordinates | 7248220.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17.5 H38.5 N2 O5.25 |
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Calculated formula | C15 H31 N2 O4 |
Title of publication | Understanding the effects of targeted modifications on the 1 : 2 Choline And GEranate structure. |
Authors of publication | Dobre, Ana; Koutsoukos, Spyridon; Philippi, Frederik; Rauber, Daniel; Kay, Christopher W. M.; Palumbo, Oriele; Roessler, Maxie M.; Welton, Tom |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 11 |
Pages of publication | 8858 - 8872 |
a | 15.2287 ± 0.0015 Å |
b | 23.0298 ± 0.0018 Å |
c | 5.8087 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2037.2 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0876 |
Residual factor for significantly intense reflections | 0.0502 |
Weighted residual factors for significantly intense reflections | 0.0944 |
Weighted residual factors for all reflections included in the refinement | 0.1067 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
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/7248220.html
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Users of the data should acknowledge the original authors of the
structural data.