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Information card for entry 7236224
Preview
| Coordinates | 7236224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H25 F2 N5 O2 |
|---|---|
| Calculated formula | C32 H25 F2 N5 O2 |
| Title of publication | An efficient ultrasonic-mediated one-pot synthesis of 2,3,6,7,9-pentaazabicyclo[3.3.1]nonanes via a N,N-dimethylformamide dimethylacetal catalyzed Mannich-like reaction |
| Authors of publication | Behbehani, Haider; Ibrahim, Hamada Mohamed |
| Journal of publication | RSC Advances |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 58 |
| Pages of publication | 52700 |
| a | 27.31 ± 0.003 Å |
| b | 12.2123 ± 0.0012 Å |
| c | 8.398 ± 0.0008 Å |
| α | 90° |
| β | 91.531 ± 0.006° |
| γ | 90° |
| Cell volume | 2799.9 ± 0.5 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for all reflections included in the refinement | 0.1741 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236224.cif |
| 235284 | 2019-11-23 | cif/ Adding structures of 7236221, 7236222, 7236223, 7236224 via cif-deposit CGI script. |
7236224.cif |
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Users of the data should acknowledge the original authors of the
structural data.