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Information card for entry 4029603
Preview
| Coordinates | 4029603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H9 N3 |
|---|---|
| Calculated formula | C14 H9 N3 |
| SMILES | c12ccccc1nc1ncc3ccccc3n21 |
| Title of publication | CuI-Catalyzed C-N Bond Formation and Cleavage for the Synthesis of Benzimidazo[1,2-a]quinazoline Derivatives. |
| Authors of publication | Li, Chao; Zhang, Wen-Ting; Wang, Xiang-Shan |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2014 |
| Journal volume | 79 |
| Journal issue | 12 |
| Pages of publication | 5847 - 5851 |
| a | 10.7584 ± 0.0003 Å |
| b | 41.2284 ± 0.0011 Å |
| c | 9.1427 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4055.26 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0315 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0658 |
| Weighted residual factors for all reflections included in the refinement | 0.0688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178475 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/96. |
4029603.cif |
| 119194 | 2014-07-05 | cif/ Updating files of 4029603 Original log message: Adding full bibliography for 4029603.cif. |
4029603.cif |
| 116392 | 2014-06-11 | cif/ Adding structures of 4029603 via cif-deposit CGI script. |
4029603.cif |
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Users of the data should acknowledge the original authors of the
structural data.