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Information card for entry 8104884
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Coordinates | 8104884.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | <i>ortho</i>-anisaldehyde |
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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 |
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The link is: https://www.crystallography.net/8104884.html
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