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CIF Information Card
Information card for 7101888
7101887 << 7101888 >> 7101889Preview
|
Coordinates |
7101888.cif |
Structure parameters
| Formula | - C14 H14 N2 O2 - |
| Calculated formula | - C14 H14 N2 O2 - |
| Title of publication | Tandem C-C coupling‒intramolecular acetylenic Schmidt reaction under Pd/C-Cu catalysis. |
| Authors of publication | Batchu, Venkateswara Rao; Barange, Deepak Kumar; Kumar, Dinesh; Sreekanth, Bukkapattanam R; Vyas, K; Reddy, E Amarender; Pal, Manojit |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 19 |
| Pages of publication | 1966 - 1968 |
| a | 23.78 ± 0.01 Å |
| b | 4.56 ± 0.003 Å |
| c | 11.134 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1207.3 ± 1.2 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P c a 21 |
| Hall symmetry space group | P 2c -2ac |
| Residual factor for observed reflections | 0.056 |
| Weighted residual factors for all reflections included in the refinement | 0.065 |
| Goodness-of-fit parameter for observed reflections | 1.12 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |