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Information card for entry 1547118
Preview
| Coordinates | 1547118.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H21 N2 O3 |
|---|---|
| Calculated formula | C25 H21 N2 O3 |
| SMILES | O1/C(=N\c2ccccc2)N(C2C1=C(C1(C2)C=CC(=O)C=C1)c1ccc(OC)cc1)C |
| Title of publication | Tandem Oxidative Dearomatizing Spirocyclizations of Propargyl Guanidines and Ureas. |
| Authors of publication | Singh, Ravi P.; Das, Jayanta; Yousufuddin, Muhammed; Gout, Delphine; Lovely, Carl J. |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 15 |
| Pages of publication | 4110 - 4113 |
| a | 9.6628 ± 0.0017 Å |
| b | 18.241 ± 0.003 Å |
| c | 11.829 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2085 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.085 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1616 |
| Weighted residual factors for all reflections included in the refinement | 0.1762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200636 (current) | 2017-09-12 | cif/ Adding structures of 1547118 via cif-deposit CGI script. |
1547118.cif |
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