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Information card for entry 2209080
Preview
Coordinates | 2209080.cif |
---|---|
Structure factors | 2209080.hkl |
Original IUCr paper | HTML |
Chemical name | 7,8-Dihydro-7,7-dimethyl-5-p-tolyl-10-(3,4,5-trimethoxyphenyl)-5H- indeno[1,2-b]quinoline-9,11(6H,10H)-dione hemihydrate |
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Formula | C34 H34 N O5.5 |
Calculated formula | C34 H34 N O5.5 |
SMILES | COc1c(OC)cc(cc1OC)C1C2=C(CC(CC2=O)(C)C)N(C2=C1C(=O)c1c2cccc1)c1ccc(cc1)C.O |
Title of publication | 7,8-Dihydro-7,7-dimethyl-5-<i>p</i>-tolyl-10-(3,4,5-trimethoxyphenyl)-5<i>H</i>-indeno[1,2-<i>b</i>]quinoline-9,11(6<i>H</i>,10<i>H</i>)-dione hemihydrate |
Authors of publication | Tu, Shu-Jiang; Jiang, Bo; Yao, Cheng-Sheng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 6 |
Pages of publication | o2406 - o2407 |
a | 25.094 ± 0.006 Å |
b | 12.755 ± 0.003 Å |
c | 19.891 ± 0.005 Å |
α | 90° |
β | 103.926 ± 0.004° |
γ | 90° |
Cell volume | 6179 ± 3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1921 |
Residual factor for significantly intense reflections | 0.0731 |
Weighted residual factors for significantly intense reflections | 0.1771 |
Weighted residual factors for all reflections included in the refinement | 0.2391 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2209080.html
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Users of the data should acknowledge the original authors of the
structural data.