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CIF Information Card
Information card for 2011798
2011797 << 2011798 >> 2011799Preview
|
Coordinates |
2011798.cif |
|
Structure factors |
2011798.hkl |
Structure parameters
| Common name | (+-)-1-tetralone-2-acetic acid |
| Formula | - C12 H12 O3 - |
| Calculated formula | - C12 H12 O3 - |
| Title of publication | (±)-1-Tetralone-3-carboxylic and -2-acetic acids: hydrogen bonding in two γ-keto acids |
| Authors of publication | Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.; Miller, Allan J. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Pages of publication | 325 - 328 |
| a | 8.0008 ± 0.001 Å |
| b | 10.579 ± 0.002 Å |
| c | 12.6789 ± 0.0013 Å |
| α | 90° |
| β | 105.616 ± 0.008° |
| γ | 90° |
| Cell volume | 1033.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |