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Information card for entry 4122695
Preview
Coordinates | 4122695.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H30 N O7 Si |
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Calculated formula | C43 H65 N O7 Si |
SMILES | [Si](C1=CN(C(=O)O[C@H]2[C@@H](CCCC2)C(C)(C)c2ccccc2)[C@@H](CC1=O)CC1=C(CCC2(OCCO2)C1(C)C)C(=O)OC)(C(C)C)(C(C)C)C(C)C.[Si](C1=CN(C(=O)O[C@@H]2[C@H](CCCC2)C(C)(C)c2ccccc2)[C@H](CC1=O)CC1=C(CCC2(OCCO2)C1(C)C)C(=O)OC)(C(C)C)(C(C)C)C(C)C |
Title of publication | Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures. |
Authors of publication | Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 40 |
Pages of publication | 14184 |
a | 9.149 ± 0.005 Å |
b | 12.298 ± 0.005 Å |
c | 19.169 ± 0.005 Å |
α | 74.475 ± 0.005° |
β | 89.769 ± 0.005° |
γ | 80.187 ± 0.005° |
Cell volume | 2045.7 ± 1.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0755 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1361 |
Weighted residual factors for all reflections included in the refinement | 0.1815 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 1.5418 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/4122695.html
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Users of the data should acknowledge the original authors of the
structural data.