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Information card for entry 7155058
Preview
| Coordinates | 7155058.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H20 N2 O2 |
|---|---|
| Calculated formula | C23 H20 N2 O2 |
| SMILES | n1c([nH]c(c1c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccccc1 |
| Title of publication | Fused imidazoles as potential chemical scaffolds for inhibition of heat shock protein 70 and induction of apoptosis. Synthesis and biological evaluation of phenanthro[9,10-d]imidazoles and imidazo[4,5-f][1,10]phenanthrolines. |
| Authors of publication | Patel, Alpa; Sharp, Swee Y.; Hall, Katelan; Lewis, William; Stevens, Malcolm F. G.; Workman, Paul; Moody, Christopher J. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 16 |
| Pages of publication | 3889 - 3905 |
| a | 12.5059 ± 0.001 Å |
| b | 32.64 ± 0.002 Å |
| c | 9.2776 ± 0.0006 Å |
| α | 90° |
| β | 93.765 ± 0.007° |
| γ | 90° |
| Cell volume | 3778.9 ± 0.5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.1334 |
| Residual factor for significantly intense reflections | 0.0919 |
| Weighted residual factors for significantly intense reflections | 0.1916 |
| Weighted residual factors for all reflections included in the refinement | 0.2091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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The link is: https://www.crystallography.net/7155058.html
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Users of the data should acknowledge the original authors of the
structural data.