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Information card for entry 2012596
Preview
Coordinates | 2012596.cif |
---|---|
Structure factors | 2012596.hkl |
Original IUCr paper | HTML |
Common name | Magnet-5 |
---|---|
Chemical name | dispiro [2H-benzimidazole-2,1'-cyclohexane-4',2''-[2H]benzimidazole] ,1,1''-dioxide |
Formula | C18 H16 N4 O2 |
Calculated formula | C18 H16 N4 O2 |
SMILES | C1C2(CCC3(C1)N(=C1C=CC=CC1=N3)=O)N(=O)=C1C=CC=CC1=N2 |
Title of publication | Dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1-oxide and dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1,1''-dioxide |
Authors of publication | Kaftory, Menahem; Shteiman, Vitaly; Botoshansky, Mark |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2002 |
Journal volume | 58 |
Journal issue | 3 |
Pages of publication | o183 - o186 |
a | 5.416 ± 0.002 Å |
b | 7.29 ± 0.002 Å |
c | 10.426 ± 0.003 Å |
α | 104.39 ± 0.03° |
β | 104.15 ± 0.03° |
γ | 98.41 ± 0.03° |
Cell volume | 377.1 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0936 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.1258 |
Weighted residual factors for all reflections included in the refinement | 0.1393 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71069 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/2012596.html
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Users of the data should acknowledge the original authors of the
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