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Information card for entry 7240054
Preview
| Coordinates | 7240054.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H24 N2 O3 |
|---|---|
| Calculated formula | C9 H24 N2 O3 |
| Title of publication | Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality |
| Authors of publication | Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 6.3212 ± 0.0009 Å |
| b | 6.3212 ± 0.0009 Å |
| c | 53.448 ± 0.011 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1849.5 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0359 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.0946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249106 (current) | 2020-03-06 | cif/ Adding structures of 7240054, 7240055, 7240056, 7240057, 7240058, 7240059, 7240060, 7240061, 7240062, 7240063, 7240064 via cif-deposit CGI script. |
7240054.cif |
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Users of the data should acknowledge the original authors of the
structural data.