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Information card for entry 7132900
Preview
| Coordinates | 7132900.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H10 N2 |
|---|---|
| Calculated formula | C17 H10 N2 |
| SMILES | c12c3c(cc4ncc5cccc(c5n24)c1)cccc3 |
| Title of publication | Synthesis of two nitrogen-containing polyaromatic compounds through gold catalysis/DBU-promoted cyclizations. |
| Authors of publication | Sadaphal, Vikas Ashokrao; Wu, Tien-Lin; Liu, Rai-Shung |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 32 |
| Pages of publication | 4294 - 4297 |
| a | 4.5044 ± 0.0001 Å |
| b | 12.6636 ± 0.0005 Å |
| c | 19.6473 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1120.72 ± 0.07 Å3 |
| Cell temperature | 99.98 ± 0.1 K |
| Ambient diffraction temperature | 99.98 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0594 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1506 |
| Weighted residual factors for all reflections included in the refinement | 0.153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| 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 |
|---|---|---|---|
| 291519 (current) | 2024-05-05 | cif/ Updating files of 7132900, 7132901, 7132902, 7132903, 7132904, 7132905, 7132906, 7132907 Original log message: Adding full bibliography for 7132900--7132907.cif. |
7132900.cif |
| 290649 | 2024-03-27 | cif/ Adding structures of 7132900, 7132901, 7132902, 7132903, 7132904, 7132905, 7132906, 7132907 via cif-deposit CGI script. |
7132900.cif |
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Users of the data should acknowledge the original authors of the
structural data.