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CIF Information Card
Information card for 7151739
7151738 << 7151739 >> 7151740Preview
|
Coordinates |
7151739.cif |
Structure parameters
| Formula | - C24 H23 Br N2 O6 - |
| Calculated formula | - C24 H23 Br N2 O6 - |
| Title of publication | The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines. |
| Authors of publication | Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 7 |
| Pages of publication | 2166 - 2174 |
| a | 8.558 ± 0.0012 Å |
| b | 15.813 ± 0.002 Å |
| c | 16.673 ± 0.002 Å |
| α | 90° |
| β | 98.473 ± 0.005° |
| γ | 90° |
| Cell volume | 2231.7 ± 0.5 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.043 |
| Residual factor for observed reflections | 0.0317 |
| Weighted residual factors for the observed reflections | 0.0676 |
| Weighted residual factors for all reflections included in the refinement | 0.0707 |
| Goodness-of-fit parameter for observed reflections | 0.978 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |