Information card for entry 2003398
| Formula |
C15 H13 N O4 |
| Calculated formula |
C15 H13 N O4 |
| Title of publication |
3-Oxo-2-phenyl-3a,4,5,7a-tetrahydro-5,7a-epoxyisoindoline-4-carboxylic Acid in Two Crystalline Phases, Solvated with DMSO and Unsolvated |
| Authors of publication |
Pèpe, G.; Reboul, J.-P.; Brun, P.; Zylber, J. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1995 |
| Journal volume |
51 |
| Journal issue |
4 |
| Pages of publication |
729 - 732 |
| a |
16.961 ± 0.005 Å |
| b |
13.219 ± 0.002 Å |
| c |
11.598 ± 0.002 Å |
| α |
90° |
| β |
81.41 ± 0.02° |
| γ |
90° |
| Cell volume |
2571.2 ± 1 Å3 |
| Cell temperature |
293 K |
| Ambient diffraction temperature |
293 K |
| Number of distinct elements |
4 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
A 1 2/a 1 |
| Hall space group symbol |
-A 2ya |
| Residual factor for all reflections |
0.041 |
| Residual factor for significantly intense reflections |
0.041 |
| Weighted residual factors for all reflections |
0.041 |
| Weighted residual factors for significantly intense reflections |
0.041 |
| Goodness-of-fit parameter for all reflections |
0.93 |
| Goodness-of-fit parameter for significantly intense reflections |
0.93 |
| Diffraction radiation wavelength |
1.5418 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/2003398.html
