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Information card for entry 2014137
Preview
Coordinates | 2014137.cif |
---|---|
Structure factors | 2014137.hkl |
Original IUCr paper | HTML |
Chemical name | 4-(3,4-Dichlorophenyl)-9-(4-methylphenylsulfonyl)-4,9- diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione |
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Formula | C22 H18 Cl2 N2 O4 S |
Calculated formula | C22 H18 Cl2 N2 O4 S |
Title of publication | 4-(3,4-Dichlorophenyl)-9-(4-methylphenylsulfonyl)-4,9-diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione and 4-(4-chlorophenyl)-9-(4-methylphenylsulfonyl)-4,9-diazatetracyclo[5.3.1.0^2,6^.0^8,10^]undecane-3,5-dione |
Authors of publication | Bortoluzzi, Adailton J.; Andrade, Evilazio S.; Nunes, Ricardo J. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 8 |
Pages of publication | o614 - o616 |
a | 12.856 ± 0.001 Å |
b | 15.689 ± 0.001 Å |
c | 10.727 ± 0.001 Å |
α | 90° |
β | 100.27 ± 0.01° |
γ | 90° |
Cell volume | 2128.9 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1181 |
Residual factor for significantly intense reflections | 0.0491 |
Weighted residual factors for significantly intense reflections | 0.1158 |
Weighted residual factors for all reflections included in the refinement | 0.1367 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2014137.html
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