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Information card for entry 7243573
Preview
| Coordinates | 7243573.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H20 O2 |
|---|---|
| Calculated formula | C14 H20 O2 |
| Title of publication | Separation of a diastereomeric diol pair using mechanical properties of crystals |
| Authors of publication | Gamidi, Rama Krishna; Dandawate, Monica; Choudhury, Rahul; Tothadi, Srinu; Nangia, Ashwini; Reddy, D. Srinivasa |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| a | 5.0851 ± 0.0017 Å |
| b | 13.6181 ± 0.0018 Å |
| c | 18.784 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1300.8 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.0814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269268 (current) | 2021-09-24 | cif/ Adding structures of 7243573, 7243574 via cif-deposit CGI script. |
7243573.cif |
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Users of the data should acknowledge the original authors of the
structural data.