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CIF Information Card
Information card for 7151740
7151739 << 7151740 >> 7151741Preview
|
Coordinates |
7151740.cif |
Structure parameters
| Chemical name | ?(5S,6R)-Dimethyl 8-bromo-6-hydroxyl-4-isopropyl-5-(2-pyridyl)- 5,6-dihydrobenzo[d]furo[3,2-b]azepine-2,3-dicarboxylate |
| 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 | 29.508 ± 0.001 Å |
| b | 29.508 ± 0.001 Å |
| c | 12.139 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10569.7 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -4 |
| Hall symmetry space group | P -4 |
| Residual factor for all reflections | 0.0735 |
| Residual factor for observed reflections | 0.0446 |
| Weighted residual factors for the observed reflections | 0.0964 |
| Weighted residual factors for all reflections included in the refinement | 0.1038 |
| Goodness-of-fit parameter for observed reflections | 0.971 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |