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Information card for entry 1540508
Preview
| Coordinates | 1540508.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H18 O2 |
|---|---|
| Calculated formula | C10 H18 O2 |
| Title of publication | Synthesis and Molecular Structures of (E)-non-2-enoic Acid and (E)-dec-2-enoic Acid |
| Authors of publication | Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian |
| Journal of publication | Crystals |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 4 |
| Pages of publication | 466 |
| a | 4.1405 ± 0.0002 Å |
| b | 15.2839 ± 0.0006 Å |
| c | 17.7089 ± 0.0007 Å |
| α | 68.3291 ± 0.0011° |
| β | 83.385 ± 0.0013° |
| γ | 85.0779 ± 0.0012° |
| Cell volume | 1033.39 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0619 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1224 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170127 (current) | 2015-11-06 | cif/ Adding structures of 1540508 via cif-deposit CGI script. |
1540508.cif |
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Users of the data should acknowledge the original authors of the
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