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Information card for entry 1553909
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1553909.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H28 O2 |
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Calculated formula | C26 H28 O2 |
SMILES | O=C1c2c(C(=O)C31[C@H](c1ccccc1)C(C)([C@H]1CC[C@@H](C[C@H]31)C)C)cccc2.O=C1c2c(C(=O)C31[C@@H](c1ccccc1)C(C)([C@@H]1CC[C@H](C[C@@H]31)C)C)cccc2 |
Title of publication | Facile synthesis of carbo- and heterocycles via Fe(iii)-catalyzed alkene hydrofunctionalization |
Authors of publication | Qi, Jifeng; Zheng, Jing; Cui, Sunliang |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2018 |
Journal volume | 5 |
Journal issue | 2 |
Pages of publication | 222 |
a | 8.914 ± 0.01 Å |
b | 9.542 ± 0.011 Å |
c | 13.652 ± 0.015 Å |
α | 86.106 ± 0.014° |
β | 80.322 ± 0.012° |
γ | 67.976 ± 0.012° |
Cell volume | 1061 ± 2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1976 |
Residual factor for significantly intense reflections | 0.1187 |
Weighted residual factors for significantly intense reflections | 0.312 |
Weighted residual factors for all reflections included in the refinement | 0.3561 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/1553909.html
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Users of the data should acknowledge the original authors of the
structural data.