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Information card for entry 2023206
Preview
| Coordinates | 2023206.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4-Bromo-5,7-dimethoxy-2,3-dihydro-1<i>H</i>-inden-1-one |
|---|---|
| Formula | C11 H11 Br O3 |
| Calculated formula | C11 H11 Br O3 |
| Title of publication | Crystal structure of 4-bromo-5,7-dimethoxy-2,3-dihydro-1H-inden-1-one |
| Authors of publication | Galla, Sri Hari; Sridhar, Jayalakshmi; Mague, Joel T.; Zhang, Xiaodong; White, Kira D.; Zhang, Qiang; Donahue, James P. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 8 |
| a | 7.0928 ± 0.0005 Å |
| b | 14.3933 ± 0.001 Å |
| c | 10.0419 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1025.17 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0282 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.0551 |
| Weighted residual factors for all reflections included in the refinement | 0.0562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293489 (current) | 2024-07-20 | cif/ Adding structures of 2023206 via cif-deposit CGI script. |
2023206.cif |
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