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Information card for entry 2241661
Preview
| Coordinates | 2241661.cif |
|---|---|
| Structure factors | 2241661.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 4-Methyl-2-oxo-2<i>H</i>-chromene-7,8-diyl bis(pent-4-ynoate) |
|---|---|
| Formula | C20 H16 O6 |
| Calculated formula | C20 H16 O6 |
| Title of publication | Crystal structures of 4-methyl-2-oxo-2<i>H</i>-chromene-7,8-diyl diacetate and 4-methyl-2-oxo-2<i>H</i>-chromene-7,8-diyl bis(pent-4-ynoate) |
| Authors of publication | Akinyemi, Akintunde; Thomas, Courtney; Marsh, Willis; Butcher, Ray J.; Jasinski, Jerry P.; Maynard-Smith, Lystranne A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 5 |
| Pages of publication | 704 - 708 |
| a | 5.2785 ± 0.0003 Å |
| b | 16.3785 ± 0.0008 Å |
| c | 20.0502 ± 0.0011 Å |
| α | 90° |
| β | 95.992 ± 0.002° |
| γ | 90° |
| Cell volume | 1723.95 ± 0.16 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0847 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1275 |
| Weighted residual factors for all reflections included in the refinement | 0.1417 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182300 (current) | 2016-04-28 | cif/ hkl/ Adding structures of 2241660, 2241661 via cif-deposit CGI script. |
2241661.cif 2241661.hkl |
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Users of the data should acknowledge the original authors of the
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