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Information card for entry 1548720
Preview
| Coordinates | 1548720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H19 N O3 |
|---|---|
| Calculated formula | C24 H19 N O3 |
| SMILES | o1c(nc2ccccc12)/C=C(OC(=O)c1cccc(c1)C)/c1cc(ccc1)C |
| Title of publication | Synthesis and Structural Characterization of Substituted 2-Phenacylbenzoxazoles |
| Authors of publication | Agnieszka Skotnicka; Erkki Kolehmainen; Przemyslaw Czelen; Arto Valkonen; Ryszard Gawinecki |
| Journal of publication | International Journal of Molecular Sciences |
| Year of publication | 2013 |
| Journal volume | 14 |
| Pages of publication | 4444 - 4460 |
| a | 8.2713 ± 0.0003 Å |
| b | 11.0619 ± 0.0004 Å |
| c | 11.1918 ± 0.0004 Å |
| α | 108.347 ± 0.003° |
| β | 104.143 ± 0.003° |
| γ | 93.746 ± 0.003° |
| Cell volume | 931.17 ± 0.06 Å3 |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0428 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.1027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205369 (current) | 2018-01-18 | cif/ Adding structures of 1548720 via cif-deposit CGI script. |
1548720.cif |
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Users of the data should acknowledge the original authors of the
structural data.