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Information card for entry 2233589
Preview
Coordinates | 2233589.cif |
---|---|
Structure factors | 2233589.hkl |
Original IUCr paper | HTML |
Chemical name | Ethyl (1<i>R</i>,1'<i>S</i>,2'<i>S</i>,7a'<i>R</i>)-2-oxo- 1'-[(3a<i>R</i>,5<i>R</i>,5a<i>S</i>,8a<i>S</i>,8b<i>R</i>)-2,2,7,7- tetramethyltetrahydro-3a<i>H</i>- bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl]-1',2',5',6',7',7a'- hexahydro-2<i>H</i>-spiro[acenaphthylene-1,3'-pyrrolizine]-2'-carboxylate |
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Formula | C32 H37 N O8 |
Calculated formula | C32 H37 N O8 |
SMILES | CCOC(=O)[C@@H]1[C@@H]([C@H]2O[C@@H]3OC(O[C@@H]3[C@@H]3[C@H]2OC(O3)(C)C)(C)C)[C@H]2N([C@]31C(=O)c1c4c3cccc4ccc1)CCC2 |
Title of publication | Ethyl (1<i>R</i>,1'<i>S</i>,2'<i>S</i>,7a'<i>R</i>)-2-oxo-1'-[(3a<i>R</i>,5<i>R</i>,5a<i>S</i>,8a<i>S</i>,8b<i>R</i>)-2,2,7,7-tetramethyltetrahydro-3a<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl]-1',2',5',6',7',7a'-hexahydro-2<i>H</i>-spiro[acenaphthylene-1,3'-pyrrolizine]-2'-carboxylate |
Authors of publication | Jagadeesan, G.; Sethusankar, K.; Prasanna, R.; Raghunathan, R. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 2 |
Pages of publication | o382 - o383 |
a | 11.4723 ± 0.0004 Å |
b | 8.9548 ± 0.0002 Å |
c | 15.0543 ± 0.0005 Å |
α | 90° |
β | 96.99 ± 0.002° |
γ | 90° |
Cell volume | 1535.07 ± 0.08 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0741 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.1091 |
Weighted residual factors for all reflections included in the refinement | 0.1244 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2233589.html
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