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Information card for entry 4123795
Preview
Coordinates | 4123795.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H31 N O8 |
---|---|
Calculated formula | C23 H31 N O8 |
SMILES | O1[C@@H]2[C@H](OC(=O)OC(C)(C)C)[C@]3(N([C@@H](C=C2C(=O)OC)[C@H]3C1)C(=O)OC(C)(C)C)C#CC.O1[C@H]2[C@@H](OC(=O)OC(C)(C)C)[C@@]3(N([C@H](C=C2C(=O)OC)[C@@H]3C1)C(=O)OC(C)(C)C)C#CC |
Title of publication | Total Synthesis of Gelsemoxonine through a Spirocyclopropane Isoxazolidine Ring Contraction. |
Authors of publication | Diethelm, Stefan; Carreira, Erick M. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 18 |
Pages of publication | 6084 - 6096 |
a | 15.4759 ± 0.001 Å |
b | 12.6368 ± 0.0008 Å |
c | 12.476 ± 0.0008 Å |
α | 90° |
β | 100.839 ± 0.003° |
γ | 90° |
Cell volume | 2396.4 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.041 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.1048 |
Weighted residual factors for all reflections included in the refinement | 0.1082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.657 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4123795.html
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Users of the data should acknowledge the original authors of the
structural data.