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Information card for entry 1506151
Preview
Coordinates | 1506151.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H26 N2 O6 |
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Calculated formula | C20 H26 N2 O6 |
SMILES | CC(C)(C)OC(=O)N1CC[C@@]23[C@@H]1c1c(cco1)[C@@H]2[C@H](C(=O)N(C3)C)C(=O)OC.CC(C)(C)OC(=O)N1CC[C@]23[C@H]1c1c(cco1)[C@H]2[C@@H](C(=O)N(C3)C)C(=O)OC |
Title of publication | Generation of N-acyliminium ions via intramolecular conjugate addition reactions: a strategy for the total synthesis of nakadomarin A. |
Authors of publication | Nilson, Mark G.; Funk, Raymond L. |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 17 |
Pages of publication | 3833 - 3836 |
a | 18.465 ± 0.006 Å |
b | 9.25 ± 0.003 Å |
c | 12.676 ± 0.004 Å |
α | 90° |
β | 110.308 ± 0.006° |
γ | 90° |
Cell volume | 2030.5 ± 1.1 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0466 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.0966 |
Weighted residual factors for all reflections included in the refinement | 0.0994 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1506151.html
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Users of the data should acknowledge the original authors of the
structural data.