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Information card for entry 1562505
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| Coordinates | 1562505.cif |
|---|---|
| Structure factors | 1562505.hkl |
| Original IUCr paper | HTML |
| Common name | 8-Hydroxy-6-methoxy-7-(3-methylbut-2-enyloxy)coumarin |
|---|---|
| Chemical name | 8-Hydroxy-6-methoxy-7-(3-methylbut-2-enyloxy)-2<i>H</i>-chromen-2-one |
| Formula | C15 H16 O5 |
| Calculated formula | C15 H16 O5 |
| Title of publication | 8-Hydroxy-6-methoxy-7-(3-methylbut-2-enyloxy)coumarin (capensine) |
| Authors of publication | Mamadrakhimov, Azimjon; Mutalliyev, Luqmonjon; Abdullaev, Sirojiddin; Khodjaniyazov, Khamid; Izotova, Lidiya; Aisa, Haji Akber |
| Journal of publication | IUCrData |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 5 |
| Pages of publication | x210451 |
| a | 11.4373 ± 0.0002 Å |
| b | 9.2045 ± 0.0001 Å |
| c | 13.9862 ± 0.0002 Å |
| α | 90° |
| β | 112.03 ± 0.002° |
| γ | 90° |
| Cell volume | 1364.89 ± 0.04 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 | 0.0459 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1272 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265130 (current) | 2021-05-12 | cif/ hkl/ Adding structures of 1562505 via cif-deposit CGI script. |
1562505.cif 1562505.hkl |
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Users of the data should acknowledge the original authors of the
structural data.