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Information card for entry 1571253
Preview
| Coordinates | 1571253.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,2-bis(5-methylpyridin-2-yl)ethyne |
|---|---|
| Formula | C14 H12 N2 |
| Calculated formula | C14 H12 N2 |
| Title of publication | Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines. |
| Authors of publication | Kopp, Richard O.; Kleynemeyer, Sabrina L.; Groth, Lucie J.; Ernst, Moritz J.; Rupf, Susanne M.; Weber, Manuela; Kershaw Cook, Laurence J.; Coles, Nathan T.; Neale, Samuel E.; Müller, Christian |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 15 |
| Pages of publication | 5496 - 5506 |
| a | 8.4144 ± 0.0005 Å |
| b | 9.2664 ± 0.0005 Å |
| c | 14.4244 ± 0.001 Å |
| α | 90° |
| β | 103.942 ± 0.002° |
| γ | 90° |
| Cell volume | 1091.55 ± 0.12 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1081 |
| Residual factor for significantly intense reflections | 0.0718 |
| Weighted residual factors for significantly intense reflections | 0.198 |
| Weighted residual factors for all reflections included in the refinement | 0.2543 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291581 (current) | 2024-05-05 | cif/ Updating files of 1571249, 1571250, 1571251, 1571252, 1571253, 1571254 Original log message: Adding full bibliography for 1571249--1571254.cif. |
1571253.cif |
| 290503 | 2024-03-15 | cif/ Adding structures of 1571249, 1571250, 1571251, 1571252, 1571253, 1571254 via cif-deposit CGI script. |
1571253.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.