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Information card for entry 2018235
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Coordinates | 2018235.cif |
---|---|
Original IUCr paper | HTML |
External links | ChemSpider |
Common name | <i>O</i>-Tosyl cinchonidine |
---|---|
Chemical name | <i>O</i>-Tosyl cinchonidine |
Formula | C26 H28 N2 O3 S |
Calculated formula | C26 H28 N2 O3 S |
SMILES | S(=O)(=O)(O[C@@H]([C@H]1N2C[C@@H]([C@@H](CC2)C1)C=C)c1ccnc2ccccc12)c1ccc(cc1)C |
Title of publication | Tosyl esters of cinchonidine and cinchonine alkaloids: the structure‒reactivity relationship in the hydrolysis to 9-epibases |
Authors of publication | Karczmarzyk, Zbigniew; Lipińska, Teodozja M.; Wysocki, Waldemar; Denisiuk, Monika; Piechocka, Katarzyna |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 9 |
Pages of publication | o346 - o349 |
a | 9.4591 ± 0.0013 Å |
b | 10.094 ± 0.002 Å |
c | 24.37 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2326.9 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0792 |
Residual factor for significantly intense reflections | 0.0638 |
Weighted residual factors for significantly intense reflections | 0.1569 |
Weighted residual factors for all reflections included in the refinement | 0.1672 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/2018235.html
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