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Information card for entry 4515836
Preview
| Coordinates | 4515836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H68 N10 O8 S2 |
|---|---|
| Calculated formula | C54 H57.8784 N10 O8 S2 |
| Title of publication | Synthesis of Highly Substituted Imidazole Uracil Containing Molecules via Ugi-4CR and Passerini-3CR. |
| Authors of publication | Madhavachary, Rudrakshula; Zarganes-Tzitzikas, Tryfon; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander |
| Journal of publication | ACS combinatorial science |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 4 |
| Pages of publication | 192 - 196 |
| a | 13.3492 ± 0.0006 Å |
| b | 13.7951 ± 0.0007 Å |
| c | 15.3909 ± 0.0008 Å |
| α | 92.125 ± 0.004° |
| β | 104.408 ± 0.004° |
| γ | 101.959 ± 0.004° |
| Cell volume | 2673.8 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1132 |
| Residual factor for significantly intense reflections | 0.094 |
| Weighted residual factors for significantly intense reflections | 0.2451 |
| Weighted residual factors for all reflections included in the refinement | 0.2633 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225936 (current) | 2019-11-10 | cif/ Adding structures of 4515836 via cif-deposit CGI script. |
4515836.cif |
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Users of the data should acknowledge the original authors of the
structural data.