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Information card for entry 4032993
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4032993.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H22 N2 O3 |
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Calculated formula | C27 H22 N2 O3 |
SMILES | o1c(cc(c2nc3c(nc2c2ccc(OC)cc2)cccc3)c1C)c1ccc(OC)cc1 |
Title of publication | Gold-Catalyzed Synthesis of 1-(Furan-3-yl)-1,2-diones. |
Authors of publication | Zhang, Bing; Wang, Tao; Zhang, Zunting |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 21 |
Pages of publication | 11644 - 11654 |
a | 10.413 ± 0.0007 Å |
b | 10.5191 ± 0.0007 Å |
c | 12.1153 ± 0.0006 Å |
α | 96.996 ± 0.005° |
β | 115.161 ± 0.006° |
γ | 109.448 ± 0.006° |
Cell volume | 1077.34 ± 0.15 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0474 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.1159 |
Weighted residual factors for all reflections included in the refinement | 0.122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 1.54178 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/4032993.html
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Users of the data should acknowledge the original authors of the
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