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Information card for entry 1542732
Preview
Coordinates | 1542732.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H18 O |
---|---|
Calculated formula | C19 H18 O |
SMILES | O(c1ccc2cc(C3CC=CC4CCC=34)ccc2c1)C |
Title of publication | Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects |
Authors of publication | Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 7 |
Pages of publication | 4318 |
a | 9.9373 ± 0.0012 Å |
b | 5.8477 ± 0.0007 Å |
c | 23.768 ± 0.003 Å |
α | 90° |
β | 98.064 ± 0.002° |
γ | 90° |
Cell volume | 1367.5 ± 0.3 Å3 |
Cell temperature | 130 K |
Ambient diffraction temperature | 130 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0618 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.1357 |
Weighted residual factors for all reflections included in the refinement | 0.1454 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1542732.html
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Users of the data should acknowledge the original authors of the
structural data.