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CIF Information Card
Information card for 2015268
2015267 << 2015268 >> 2015269Preview
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Coordinates |
2015268.cif |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | anti-2-Hydroxy-2-methyl-1-tetralone oxime |
| Formula | - C11 H13 N O2 - |
| Calculated formula | - C11 H13 N O2 - |
| Title of publication | <i>anti</i>-2-Hydroxy-2-methyl-1-tetralone oxime: X-ray and density functional theory study |
| Authors of publication | Vratislav Langer; Dalma Gyepesová; Pavel Mach; Eva Scholtzová; Marta Sališová; Andrej Boháč; Boris Gášpár |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | o199 - o202 |
| a | 7.3655 ± 0.0002 Å |
| b | 9.6851 ± 0.0002 Å |
| c | 14.472 ± 0.0001 Å |
| α | 93.375 ± 0.001° |
| β | 99.476 ± 0.001° |
| γ | 102.288 ± 0.001° |
| Cell volume | 990.22 ± 0.03 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P-1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.1064 |
| Residual factor for observed reflections | 0.0512 |
| Weighted residual factors for the observed reflections | 0.0993 |
| Weighted residual factors for all reflections included in the refinement | 0.1211 |
| Goodness-of-fit parameter for observed reflections | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |