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CIF Information Card
Information card for 2013149
2013148 << 2013149 >> 2013150Preview
|
Coordinates |
2013149.cif |
|
Structure factors |
2013149.hkl |
Structure parameters
| Common name | 9-oxobicyclo[3.3.1]nonane-3\b-carboxylic acid lactol |
| Formula | - C10 H14 O3 - |
| Calculated formula | - C10 H14 O3 - |
| Title of publication | The epimeric 9-oxobicyclo[3.3.1]nonane-3-carboxylic acids: hydrogen-bonding patterns of the endo acid and the lactol of the exo acid |
| Authors of publication | Papadakis, Markos M.; Pavon, Jorge A.; Lalancette, Roger A.; Thompson, Hugh W. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2003 |
| Journal volume | 59 |
| Pages of publication | o167 - o170 |
| a | 7.331 ± 0.004 Å |
| b | 9.288 ± 0.007 Å |
| c | 12.669 ± 0.007 Å |
| α | 90° |
| β | 92.64 ± 0.02° |
| γ | 90° |
| Cell volume | 861.7 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |