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Information card for entry 2203620
Preview
Coordinates | 2203620.cif |
---|---|
Structure factors | 2203620.hkl |
Original IUCr paper | HTML |
Chemical name | 1,2,3,4,4b,4c,6,7,8,9,9b,9c-Dodecachloro-4b,4c,9b,9c- tetrahydrocyclobuta[1,2-a;3,4-a']diindene-5,10-dione |
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Formula | C18 Cl12 O2 |
Calculated formula | C18 Cl12 O2 |
SMILES | Clc1c(Cl)c(Cl)c2c(c1Cl)C(=O)[C@@]1([C@@]2(Cl)[C@]2([C@]1(Cl)c1c(C2=O)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl.Clc1c(Cl)c(Cl)c2c(c1Cl)C(=O)[C@]1([C@]2(Cl)[C@@]2([C@@]1(Cl)c1c(C2=O)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl |
Title of publication | 1,2,3,4,4b,4c,6,7,8,9,9b,9c-Dodecachloro-4b,4c,9b,9c-tetrahydrocyclobuta[1,2-<i>a</i>;3,4-<i>a</i>']diindene-5,10-dione |
Authors of publication | Ying Peng; Su-Yuan Xie; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 5 |
Pages of publication | o762 - o763 |
a | 9.0245 ± 0.0018 Å |
b | 18.407 ± 0.004 Å |
c | 13.516 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2245.2 ± 0.8 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.04 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for significantly intense reflections | 0.087 |
Weighted residual factors for all reflections included in the refinement | 0.0895 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2203620.html
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