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Information card for entry 1503082
Preview
Coordinates | 1503082.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H24 F6 N2 O3 |
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Calculated formula | C25 H24 F6 N2 O3 |
SMILES | FC(F)(F)c1cc(C(=O)N([C@H]2C[C@@H]2C(=O)N2CCOCC2)CCc2ccccc2)cc(c1)C(F)(F)F.FC(F)(F)c1cc(C(=O)N([C@@H]2C[C@H]2C(=O)N2CCOCC2)CCc2ccccc2)cc(c1)C(F)(F)F |
Title of publication | Formal nucleophilic substitution of bromocyclopropanes with amides en route to conformationally constrained β-amino acid derivatives. |
Authors of publication | Prosser, Anthony R.; Banning, Joseph E.; Rubina, Marina; Rubin, Michael |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 18 |
Pages of publication | 3968 - 3971 |
a | 15.679 ± 0.009 Å |
b | 16.496 ± 0.01 Å |
c | 8.969 ± 0.005 Å |
α | 90° |
β | 95.185 ± 0.011° |
γ | 90° |
Cell volume | 2310 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1127 |
Residual factor for significantly intense reflections | 0.0893 |
Weighted residual factors for significantly intense reflections | 0.2258 |
Weighted residual factors for all reflections included in the refinement | 0.2443 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/1503082.html
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Users of the data should acknowledge the original authors of the
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