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Information card for entry 7122172
Preview
| Coordinates | 7122172.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H22 N4 O2 S |
|---|---|
| Calculated formula | C19 H22 N4 O2 S |
| Title of publication | Relay tricyclic Pd(ii)/Ag(i) catalysis: design of a four-component reaction driven by nitrene-transfer on isocyanide yields inhibitors of EGFR. |
| Authors of publication | Sawant, Devesh M.; Sharma, Shivani; Pathare, Ramdas S.; Joshi, Gaurav; Kalra, Sourav; Sukanya, Sukanya; Maurya, Antim K.; Metre, Ramesh K.; Agnihotri, Vijai K.; Khan, Shahnawaz; Kumar, Raj; Pardasani, R. T. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 82 |
| Pages of publication | 11530 - 11533 |
| a | 7.8633 ± 0.0006 Å |
| b | 9.3267 ± 0.0007 Å |
| c | 13.5742 ± 0.001 Å |
| α | 84.166 ± 0.004° |
| β | 89.184 ± 0.004° |
| γ | 79.543 ± 0.004° |
| Cell volume | 973.9 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1076 |
| Residual factor for significantly intense reflections | 0.0858 |
| Weighted residual factors for significantly intense reflections | 0.2398 |
| Weighted residual factors for all reflections included in the refinement | 0.2778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1298 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228615 (current) | 2019-11-17 | cif/ Updating files of 7122171, 7122172, 7122173, 7122174 Original log message: Adding full bibliography for 7122171--7122174.cif. |
7122172.cif |
| 209654 | 2018-08-14 | cif/ Adding structures of 7122171, 7122172, 7122173, 7122174 via cif-deposit CGI script. |
7122172.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.