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Information card for entry 1559023
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| Coordinates | 1559023.cif |
|---|---|
| Structure factors | 1559023.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-(2-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one |
|---|---|
| Formula | C20 H16 O3 |
| Calculated formula | C20 H16 O3 |
| SMILES | O=C1c2c3ccccc3ccc2OC(C1)c1c(cccc1)OC |
| Title of publication | 3-(2-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one |
| Authors of publication | Sung, Jiha |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 9 |
| Pages of publication | x201209 |
| a | 12.4519 ± 0.0005 Å |
| b | 7.8785 ± 0.0003 Å |
| c | 15.668 ± 0.0007 Å |
| α | 90° |
| β | 105.253 ± 0.0016° |
| γ | 90° |
| Cell volume | 1482.92 ± 0.11 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.06 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.102 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256249 (current) | 2020-09-09 | cif/ hkl/ Adding structures of 1559023 via cif-deposit CGI script. |
1559023.cif 1559023.hkl |
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