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Information card for entry 2011851
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| Coordinates | 2011851.cif |
|---|---|
| Structure factors | 2011851.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3',4'-Di-(p-chlorophenyl)-spiroisoxazoline-[5'.3]-4-chromanone |
|---|---|
| Formula | C23 H15 Cl2 N O3 |
| Calculated formula | C23 H15 Cl2 N O3 |
| SMILES | Clc1ccc(C2=NO[C@]3([C@H]2c2ccc(Cl)cc2)COc2ccccc2C3=O)cc1.Clc1ccc(C2=NO[C@@]3([C@@H]2c2ccc(Cl)cc2)COc2ccccc2C3=O)cc1 |
| Title of publication | 3',4'-Bis(4-chlorophenyl)spiro[chroman-3,5'(4'<i>H</i>)-isoxazol]-4-one |
| Authors of publication | Abdul Ajees, A.; Parthasarathy, S.; Manikandan, S.; Raghunathan, R. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 4 |
| Pages of publication | 473 - 475 |
| a | 9.764 ± 0.003 Å |
| b | 11.006 ± 0.002 Å |
| c | 19.78 ± 0.003 Å |
| α | 97.56 ± 0.02° |
| β | 102.29 ± 0.02° |
| γ | 101.73 ± 0.02° |
| Cell volume | 1999.3 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1584 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for all reflections included in the refinement | 0.1394 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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