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Information card for entry 4123653
Preview
| Coordinates | 4123653.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H21 N |
|---|---|
| Calculated formula | C27 H21 N |
| Title of publication | Nickel-catalyzed hydroimination of alkynes. |
| Authors of publication | Manan, Rajith S.; Kilaru, Praveen; Zhao, Pinjing |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 19 |
| Pages of publication | 6136 - 6139 |
| a | 9.91 ± 0.008 Å |
| b | 10.638 ± 0.009 Å |
| c | 11.59 ± 0.009 Å |
| α | 66.662 ± 0.014° |
| β | 68.065 ± 0.013° |
| γ | 63.042 ± 0.012° |
| Cell volume | 971.5 ± 1.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0601 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1036 |
| Weighted residual factors for all reflections included in the refinement | 0.1123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4123653.cif |
| 138243 | 2015-06-05 | cif/ Updating files of 4123566, 4123651, 4123652, 4123653 Original log message: Adding full bibliography for 4123566--4123653.cif. |
4123653.cif |
| 136780 | 2015-05-18 | cif/ Adding structures of 4123653 via cif-deposit CGI script. |
4123653.cif |
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Users of the data should acknowledge the original authors of the
structural data.