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Information card for entry 1513314
Preview
Coordinates | 1513314.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H24 O |
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Calculated formula | C23 H24 O |
SMILES | C1(=O)CC(CCC1)/C(=C(\C=C\c1ccccc1)c1ccccc1)C |
Title of publication | Highly selective nickel-catalyzed three-component coupling of alkynes with enones and alkenyl boronic acids: a novel route to substituted 1,3-dienes |
Authors of publication | Yang, Chun-Ming; Jeganmohan, Masilamani; Parthasarathy, Kanniyappan; Cheng, Chien-Hong |
Journal of publication | Organic Letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 16 |
Pages of publication | 3610 - 3613 |
a | 32.0014 ± 0.0017 Å |
b | 10.3331 ± 0.0005 Å |
c | 22.6217 ± 0.0012 Å |
α | 90° |
β | 96.632 ± 0.001° |
γ | 90° |
Cell volume | 7430.3 ± 0.7 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1525 |
Residual factor for significantly intense reflections | 0.0531 |
Weighted residual factors for significantly intense reflections | 0.115 |
Weighted residual factors for all reflections included in the refinement | 0.154 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Duplicate of | 1503448 |
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/1513314.html
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