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CIF Information Card
Information card for 7151741
7151740 << 7151741 >> 7151742Preview
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Coordinates |
7151741.cif |
Structure parameters
| Common name | 5S,6S)-Dimethyl 8-bromo-6-hydroxyl-4-isopropyl-5-(2-pyridyl)- 5,6-dihydrobenzo(d)furo(3,2-b)azepine-2,3-dicarboxylate |
| Chemical name | 5S,6S)-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 | 7.9953 ± 0.0017 Å |
| b | 12.083 ± 0.003 Å |
| c | 13.275 ± 0.003 Å |
| α | 65.855 ± 0.003° |
| β | 88.718 ± 0.004° |
| γ | 84.251 ± 0.004° |
| Cell volume | 1164.1 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0504 |
| Residual factor for observed reflections | 0.0352 |
| Weighted residual factors for the observed reflections | 0.0788 |
| Weighted residual factors for all reflections included in the refinement | 0.085 |
| Goodness-of-fit parameter for observed reflections | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |