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Information card for entry 1519559
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Coordinates | 1519559.cif |
---|
Formula | C8 H14 O3 |
---|---|
Calculated formula | C8 H14 O3 |
Title of publication | (6-methyltetrahydro-2H-pyran-2-yl)acetic acid |
Authors of publication | Dobbs, Adrian; Coles, Simon J.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2003 |
Pages of publication | 1000 |
a | 6.822 ± 0.0002 Å |
b | 8.2332 ± 0.0002 Å |
c | 8.7991 ± 0.0003 Å |
α | 64.287 ± 0.001° |
β | 75.322 ± 0.001° |
γ | 77.259 ± 0.002° |
Cell volume | 427.27 ± 0.02 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.066 |
Residual factor for significantly intense reflections | 0.057 |
Weighted residual factors for significantly intense reflections | 0.1558 |
Weighted residual factors for all reflections included in the refinement | 0.1622 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.247 |
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/1519559.html
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Users of the data should acknowledge the original authors of the
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