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Information card for entry 7134173
Preview
| Coordinates | 7134173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H20 O3 |
|---|---|
| Calculated formula | C19 H20 O3 |
| Title of publication | Pd(II)-catalyzed cyclization of alkyne-tethered malononitriles <i>via</i> nitrile insertion. |
| Authors of publication | Nallamilli, Tarun; Munakala, Anandarao; Dhanavath, Ramulu; Mahendran, Hariharan; Chegondi, Rambabu |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2025 |
| Journal volume | 61 |
| Journal issue | 14 |
| Pages of publication | 2957 - 2960 |
| a | 12.612 ± 0.0014 Å |
| b | 5.691 ± 0.0006 Å |
| c | 22.766 ± 0.003 Å |
| α | 90° |
| β | 103.59 ± 0.005° |
| γ | 90° |
| Cell volume | 1588.3 ± 0.3 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0853 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1369 |
| Weighted residual factors for all reflections included in the refinement | 0.163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298046 (current) | 2025-03-04 | cif/ Updating files of 7134172, 7134173 Original log message: Adding full bibliography for 7134172--7134173.cif. |
7134173.cif |
| 297331 | 2025-01-16 | cif/ Adding structures of 7134172, 7134173 via cif-deposit CGI script. |
7134173.cif |
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Users of the data should acknowledge the original authors of the
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