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Information card for entry 4030638
Preview
Coordinates | 4030638.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H24 Br N O4 |
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Calculated formula | C27 H24 Br N O4 |
SMILES | c1(ccc(cc1)c1c(c2cc(ccc2o1)OC)N(C(=O)C(C)(C)C)C(=O)c1ccccc1)Br |
Title of publication | Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans. |
Authors of publication | Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 23 |
Pages of publication | 11567 - 11582 |
a | 10.5165 ± 0.0006 Å |
b | 11.0302 ± 0.0006 Å |
c | 11.792 ± 0.0006 Å |
α | 83.822 ± 0.003° |
β | 67.724 ± 0.003° |
γ | 72.66 ± 0.003° |
Cell volume | 1208.23 ± 0.12 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1175 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for significantly intense reflections | 0.1336 |
Weighted residual factors for all reflections included in the refinement | 0.1721 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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