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Information card for entry 7118037
Preview
Coordinates | 7118037.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H18 O2 |
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Calculated formula | C25 H18 O2 |
SMILES | O=C1Oc2c(c3c(CC1)cc1ccccc1c3c1ccccc1)cccc2 |
Title of publication | A palladium-catalyzed tandem reaction of 2-(2-bromobenzylidene)cyclobutanone with 2-alkynylphenol. |
Authors of publication | Pan, Xiaolin; Luo, Yong; Xia, Hong-Guang; Wu, Jie |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 92 |
Pages of publication | 16483 - 16485 |
a | 9.284 ± 0.008 Å |
b | 9.32 ± 0.008 Å |
c | 11.404 ± 0.009 Å |
α | 77.278 ± 0.01° |
β | 70.928 ± 0.009° |
γ | 88.102 ± 0.009° |
Cell volume | 908.9 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.066 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.1293 |
Weighted residual factors for all reflections included in the refinement | 0.1499 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/7118037.html
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