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Information card for entry 1502321
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1502321.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H18 O4 |
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Calculated formula | C12 H18 O4 |
SMILES | O=C1OC[C@@]2(O1)CCCC[C@H]2CCC(=O)C.O=C1OC[C@]2(O1)CCCC[C@@H]2CCC(=O)C |
Title of publication | A hydrogen peroxide based access to qinghaosu (artemisinin). |
Authors of publication | Hao, Hong-Dong; Li, Yun; Han, Wei-Bo; Wu, Yikang |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 16 |
Pages of publication | 4212 - 4215 |
a | 27.989 ± 0.003 Å |
b | 9.0736 ± 0.0009 Å |
c | 9.4414 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2397.7 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.0886 |
Residual factor for significantly intense reflections | 0.0607 |
Weighted residual factors for significantly intense reflections | 0.1641 |
Weighted residual factors for all reflections included in the refinement | 0.1818 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1502321.html
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Users of the data should acknowledge the original authors of the
structural data.