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Information card for entry 8107387
Preview
| Coordinates | 8107387.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H26 O3 |
|---|---|
| Calculated formula | C20 H26 O3 |
| SMILES | C\1=C\C=C(/C(=C)CC[C@H]([C@@](C1)(CCc1cocc1)C)C)C(=O)O |
| Title of publication | The crystal structure of strictic acid, C20H26O3 |
| Authors of publication | Li, Yijv; Zhao, Nengwu; Ye, Jianghai; Xu, Fangfang; Li, Tiantian; Lang, Tianqiong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 2 |
| Pages of publication | 177 - 179 |
| a | 10.0361 ± 0.0011 Å |
| b | 18.542 ± 0.002 Å |
| c | 9.7357 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1811.7 ± 0.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0887 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1364 |
| Weighted residual factors for all reflections included in the refinement | 0.1553 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284493 (current) | 2023-06-16 | cif/ Adding structures of 8107387 via cif-deposit CGI script. |
8107387.cif |
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Users of the data should acknowledge the original authors of the
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