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Information card for entry 1504151
Preview
Coordinates | 1504151.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H31 N2 O4 |
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Calculated formula | C22 H36 N2 O5 |
SMILES | C1(=O)CC[C@H]2[C@]([C@H](CC(C)C)OCC3=CN(CC[C@@H]23)C(=O)OC(C)(C)C)(N1)OC.C1(=O)CC[C@@H]2[C@@]([C@@H](CC(C)C)OCC3=CN(CC[C@H]23)C(=O)OC(C)(C)C)(N1)OC |
Title of publication | 3-4'-Bipiperidines via sequential [4 + 4]-[3,3]-retro-Mannich reactions. |
Authors of publication | Chen, Peiling; Carroll, Patrick J.; Sieburth, Scott McN |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 20 |
Pages of publication | 4540 - 4543 |
a | 8.834 ± 0.001 Å |
b | 10.2781 ± 0.0015 Å |
c | 13.2981 ± 0.0019 Å |
α | 90.009 ± 0.011° |
β | 106.126 ± 0.007° |
γ | 98.122 ± 0.009° |
Cell volume | 1147.3 ± 0.3 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0886 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.0999 |
Weighted residual factors for all reflections included in the refinement | 0.124 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
Diffraction radiation wavelength | 0.71069 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/1504151.html
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Users of the data should acknowledge the original authors of the
structural data.