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Information card for entry 1518137
Preview
Coordinates | 1518137.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H25 N O4 |
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Calculated formula | C22 H25 N O4 |
SMILES | Cc1ccc2c(c1)[C@@]13[C@](c4c(cc(c(c4OC)OC)OC)O3)(CCCC1)N2 |
Title of publication | Bioinspired direct access to benzofuroindolines by oxidative [3 + 2] annulation of phenols and indoles. |
Authors of publication | Denizot, Natacha; Pouilhès, Annie; Cucca, Mélissa; Beaud, Rodolphe; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 21 |
Pages of publication | 5752 - 5755 |
a | 7.6526 ± 0.0002 Å |
b | 14.3216 ± 0.0004 Å |
c | 17.7284 ± 0.0005 Å |
α | 83.319 ± 0.001° |
β | 81.257 ± 0.001° |
γ | 75.385 ± 0.001° |
Cell volume | 1852.08 ± 0.09 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.09 |
Residual factor for significantly intense reflections | 0.0543 |
Weighted residual factors for significantly intense reflections | 0.1243 |
Weighted residual factors for all reflections included in the refinement | 0.1435 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1518137.html
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Users of the data should acknowledge the original authors of the
structural data.