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Information card for entry 8106414
Preview
| Coordinates | 8106414.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H8 N6 O2 |
|---|---|
| Calculated formula | C14 H8 N6 O2 |
| Title of publication | Crystal structure of 3,3′-di(furan-2-yl)-5,5′-bi-1,2,4-triazine |
| Authors of publication | Karczmarzyk, Zbigniew; Branowska, Danuta; Wysocki, Waldemar; Bancerz, Ilona; Urbańczyk-Lipkowska, Zofia |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 1 |
| Pages of publication | 11 - 12 |
| a | 9.2129 ± 0.0018 Å |
| b | 5.0321 ± 0.001 Å |
| c | 13.76 ± 0.003 Å |
| α | 90° |
| β | 100.02 ± 0.03° |
| γ | 90° |
| Cell volume | 628.2 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0486 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.1115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280143 (current) | 2023-01-06 | cif/ Adding structures of 8106414 via cif-deposit CGI script. |
8106414.cif |
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Users of the data should acknowledge the original authors of the
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