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Information card for entry 7219736
Preview
| Coordinates | 7219736.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H20 N3 O3 |
|---|---|
| Calculated formula | C25 H20 N3 O3 |
| Title of publication | Ultrasound-Assisted Regio- and Stereoselective Synthesis of Bis-[1`,4`-diaryl-1-oxo-spiro-benzosuberane-2,5`-pyrazoline] Derivatives via 1,3-Dipolar Cycloaddition |
| Authors of publication | Behbehani, Haider; Ibrahim, Hamada Mohamed; Dawood, KM |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 13.204 ± 0.005 Å |
| b | 9.77 ± 0.004 Å |
| c | 16.496 ± 0.006 Å |
| α | 90° |
| β | 107.826 ± 0.008° |
| γ | 90° |
| Cell volume | 2025.9 ± 1.4 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 significantly intense reflections | 0.0664 |
| Weighted residual factors for all reflections included in the refinement | 0.1864 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7219736.cif |
| 180528 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/97. |
7219736.cif |
| 133066 | 2015-03-05 | cif/ Adding structures of 7219732, 7219733, 7219734, 7219735, 7219736 via cif-deposit CGI script. |
7219736.cif |
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Users of the data should acknowledge the original authors of the
structural data.