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Information card for entry 2006970
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| Coordinates | 2006970.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C24 H22 O3 |
|---|---|
| Calculated formula | C24 H22 O3 |
| SMILES | c12c(C(=C(C(C)(C)O2)c2ccccc2)c2ccc(cc2)O)ccc(c1)OC |
| Title of publication | 7-Methoxy-2,2-dimethyl-3-phenyl-4-(4-hydroxyphenyl)-2<i>H</i>-1-benzopyran |
| Authors of publication | Ray, Suprabhat; Sarkhel, Sanjay; Maulik, Prakas R.; Lobkovsky, Emil; Clardy, Jon |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 1 |
| Pages of publication | 134 - 136 |
| a | 10.236 ± 0.002 Å |
| b | 10.258 ± 0.002 Å |
| c | 18.827 ± 0.004 Å |
| α | 90° |
| β | 105.1 ± 0.02° |
| γ | 90° |
| Cell volume | 1908.6 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0436 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for all reflections | 0.1021 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Goodness-of-fit parameter for all reflections | 1.071 |
| Goodness-of-fit parameter for significantly intense reflections | 1.086 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.