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Information card for entry 1550132
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1550132.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H16 O |
---|---|
Calculated formula | C11 H16 O |
SMILES | O[C@@H]1C(=C([C@@H](C=C)CC1)C=C)C.O[C@H]1C(=C([C@H](C=C)CC1)C=C)C |
Title of publication | A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture |
Authors of publication | Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 22.7253 ± 0.0004 Å |
b | 22.7253 ± 0.0004 Å |
c | 7.5782 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3913.68 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.0579 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.1395 |
Weighted residual factors for all reflections included in the refinement | 0.1431 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1550132.html
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Users of the data should acknowledge the original authors of the
structural data.