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Information card for entry 2241660
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| Coordinates | 2241660.cif |
|---|---|
| Structure factors | 2241660.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Methyl-2-oxo-2<i>H</i>-chromene-7,8-diyl diacetate |
|---|---|
| Formula | C14 H12 O6 |
| Calculated formula | C14 H12 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 | 7.3722 ± 0.001 Å |
| b | 8.7235 ± 0.0007 Å |
| c | 11.7032 ± 0.0015 Å |
| α | 69.263 ± 0.01° |
| β | 87.519 ± 0.011° |
| γ | 69.113 ± 0.01° |
| Cell volume | 654.66 ± 0.15 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 | 0.0779 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1352 |
| Weighted residual factors for all reflections included in the refinement | 0.1555 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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. |
2241660.cif 2241660.hkl |
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Users of the data should acknowledge the original authors of the
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