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Information card for entry 8104884
Preview
| Coordinates | 8104884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | <i>ortho</i>-anisaldehyde |
|---|---|
| Chemical name | 2-methoyx benzaldehyde |
| Formula | C8 H8 O2 |
| Calculated formula | C8 H8 O2 |
| Title of publication | Crystal structure of ortho-methoxy benzaldehyde, C8H8O2 – a second polymorph and deposition of 3D coordinates |
| Authors of publication | Maritz, Marius; Hosten, Eric C.; Betz, Richard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 1 |
| Pages of publication | 65 - 67 |
| a | 10.9521 ± 0.0005 Å |
| b | 10.9521 ± 0.0005 Å |
| c | 23.3014 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2795 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0357 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0847 |
| Weighted residual factors for all reflections included in the refinement | 0.0883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273999 (current) | 2022-03-25 | cif/ Adding structures of 8104884 via cif-deposit CGI script. |
8104884.cif |
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