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Information card for entry 7223955
Preview
| Coordinates | 7223955.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H11 N3 |
|---|---|
| Calculated formula | C15 H11 N3 |
| SMILES | c1c(cccc1)c1cnnc(n1)c1ccccc1 |
| Title of publication | Synthesis of 1,2,4-Triazine Derivatives via [4+2] Domino Annulations Reactions in Onepot |
| Authors of publication | Chen, Baohua; Tang, Dong; Wang, Jing; Wu, Ping; Guo, Xin; Li, Jihui; Yang, Sen |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 24.392 ± 0.006 Å |
| b | 4.019 ± 0.0005 Å |
| c | 24.609 ± 0.017 Å |
| α | 90° |
| β | 105.47 ± 0.04° |
| γ | 90° |
| Cell volume | 2325.1 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/c 1 |
| Hall space group symbol | -I 2yc |
| Residual factor for all reflections | 0.1137 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.1837 |
| Weighted residual factors for all reflections included in the refinement | 0.223 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206958 (current) | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7223955.cif |
| 174785 | 2016-01-22 | cif/ Adding structures of 7223955 via cif-deposit CGI script. |
7223955.cif |
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Users of the data should acknowledge the original authors of the
structural data.