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Information card for entry 7241928
Preview
| Coordinates | 7241928.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H12 |
|---|---|
| Calculated formula | C5 H12 |
| Title of publication | Pressure-induced phase separation of miscible liquids: 1 : 1 n-pentane/iso-pentane |
| Authors of publication | Liu, X.; Pulham, C. R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 47 |
| Pages of publication | 8251 - 8255 |
| a | 3.7996 ± 0.0007 Å |
| b | 8.2477 ± 0.0013 Å |
| c | 14.205 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 445.16 ± 0.17 Å3 |
| Cell temperature | 275.2 K |
| Ambient diffraction temperature | 275.2 K |
| Number of distinct elements | 2 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.19 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260032 (current) | 2020-12-20 | cif/ Adding structures of 7241928 via cif-deposit CGI script. |
7241928.cif |
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Users of the data should acknowledge the original authors of the
structural data.