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Information card for entry 4032080
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4032080.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H18 O2 |
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Calculated formula | C18 H18 O2 |
SMILES | O(c1ccc2CCCC=Cc3ccc(Oc1c2)cc3)C |
Title of publication | Syntheses of Combretastatins D-1, D-2, and D-4 via Ring Contraction by Flash Vacuum Pyrolysis. |
Authors of publication | Harras, Marina; Milius, Wolfgang; Aitken, R. Alan; Schobert, Rainer |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 1 |
Pages of publication | 579 - 587 |
a | 8.4129 ± 0.0017 Å |
b | 18.533 ± 0.004 Å |
c | 9.925 ± 0.002 Å |
α | 90° |
β | 112.62 ± 0.03° |
γ | 90° |
Cell volume | 1428.4 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.2144 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for significantly intense reflections | 0.099 |
Weighted residual factors for all reflections included in the refinement | 0.1358 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.608 |
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/4032080.html
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