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Information card for entry 1545394
Preview
Coordinates | 1545394.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H22 N2 O7 |
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Calculated formula | C17 H22 N2 O7 |
SMILES | C1(C[C@@H]1CC[C@@](COC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O)(C)O)(C)C |
Title of publication | Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization. |
Authors of publication | Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 6 |
Pages of publication | 1478 - 1481 |
a | 10.7132 ± 0.0006 Å |
b | 5.9764 ± 0.0003 Å |
c | 28.5202 ± 0.0017 Å |
α | 90° |
β | 93.062 ± 0.004° |
γ | 90° |
Cell volume | 1823.44 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0692 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.0925 |
Weighted residual factors for all reflections included in the refinement | 0.1002 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/1545394.html
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