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Information card for entry 2204195
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| Coordinates | 2204195.cif |
|---|---|
| Structure factors | 2204195.hkl |
| Original IUCr paper | HTML |
| Common name | Imperatorin |
|---|---|
| Chemical name | 9-(3-methylbut-2-enyloxy)-7H-furo[3,2-g]chromen-7-one |
| Formula | C16 H14 O4 |
| Calculated formula | C16 H14 O4 |
| Title of publication | Conformations of imperatorin |
| Authors of publication | Atta-ur-Rahman; Zareen, Seema; Choudhary, M. Iqbal; Shaheen, Farzana; Parvez, Masood |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 9 |
| Pages of publication | o1460 - o1462 |
| a | 11.041 ± 0.006 Å |
| b | 11.729 ± 0.006 Å |
| c | 11.8 ± 0.007 Å |
| α | 64.72 ± 0.04° |
| β | 89.47 ± 0.03° |
| γ | 84.17 ± 0.02° |
| Cell volume | 1373.6 ± 1.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.062 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.131 |
| Weighted residual factors for all reflections included in the refinement | 0.142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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