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Information card for entry 2005990
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Coordinates | 2005990.cif |
---|---|
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | 2-(endo),2'-(exo)-epidithio-3,3'-bibornanylidene |
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Formula | C20 H30 S2 |
Calculated formula | C20 H30 S2 |
SMILES | S1S[C@H]2[C@@H]([C@H]3[C@@H]1[C@@]1(CC[C@H]3C1(C)C)C)[C@H]1CC[C@@]2(C1(C)C)C |
Title of publication | (1<i>R</i>,1<i>R</i>')-2-<i>exo</i>-Mercapto-2'-thioxo-3-<i>exo</i>,3'-<i>exo</i>-bibornane, 2-Dehydro-2,2'-<i>exo</i>-epidithio-3,3'-bibornane and 2-<i>endo</i>,2'-<i>exo</i>-Epidithio-3,3'-bibornanylidene. Potential Antiviral Agents |
Authors of publication | Kwiatkowski, W.; Cameron, T. S.; Salama, P.; Poirier, M. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 3 |
Pages of publication | 387 - 391 |
a | 12.335 ± 0.001 Å |
b | 21.044 ± 0.002 Å |
c | 7.293 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1893.1 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1127 |
Residual factor for significantly intense reflections | 0.0536 |
Weighted residual factors for all reflections | 0.1494 |
Weighted residual factors for significantly intense reflections | 0.1254 |
Goodness-of-fit parameter for all reflections | 1 |
Goodness-of-fit parameter for significantly intense reflections | 1.034 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2005990.html
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