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Information card for entry 2001337
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Coordinates | 2001337.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 1,2-trans-1,10-cis-1-methoxycardonyl-8,14-dioxotricyclo[8.4.0.0^2,7^]tetradec- 6-ene |
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Formula | C16 H20 O4 |
Calculated formula | C16 H20 O4 |
SMILES | C1(=O)CCC[C@H]2CC(=O)C3=CCCC[C@@H]3[C@@]12C(=O)OC.C1(=O)CCC[C@@H]2CC(=O)C3=CCCC[C@H]3[C@]12C(=O)OC |
Title of publication | Functionalized hydrocarbons with condensed ring skeletons. XIV. A dioxotricyclo[8.4.0.0^2,7^]tetradec-6-ene |
Authors of publication | Michel, A. G.; Drouin, M. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1993 |
Journal volume | 49 |
Journal issue | 10 |
Pages of publication | 1828 - 1830 |
a | 11.747 ± 0.004 Å |
b | 9.2937 ± 0.001 Å |
c | 12.983 ± 0.003 Å |
α | 90° |
β | 99.63 ± 0.019° |
γ | 90° |
Cell volume | 1397.4 ± 0.6 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 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 | 0.048 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for all reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.03 |
Goodness-of-fit parameter for significantly intense reflections | 1.85 |
Diffraction radiation wavelength | 0.7093 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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