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Information card for entry 7222973
Preview
| Coordinates | 7222973.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Hamada_FK87_02_06_14 |
|---|---|
| Chemical name | 4w |
| Formula | C28 H20 Br N5 O5 S |
| Calculated formula | C28 H20 Br N5 O5 S |
| Title of publication | Microwave-Assisted Synthesis in Water: First one-pot Synthesis of A novel Class of Polysubstituted Benzo[4,5]imidazo[1,2-b]pyridazines via Intramolecular SNAr |
| Authors of publication | Behbehani, Haider; Ibrahim, Hamada Mohamed |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 17.8147 ± 0.0008 Å |
| b | 7.4508 ± 0.0005 Å |
| c | 21.5768 ± 0.0011 Å |
| α | 90° |
| β | 108.369 ± 0.003° |
| γ | 90° |
| Cell volume | 2718 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0721 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1082 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7222973.cif |
| 169178 | 2015-10-15 | cif/ Adding structures of 7222973, 7222974, 7222975, 7222976 via cif-deposit CGI script. |
7222973.cif |
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Users of the data should acknowledge the original authors of the
structural data.