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Information card for entry 4104811
Preview
Coordinates | 4104811.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H25 Br N2 O |
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Calculated formula | C20 H25 Br N2 O |
SMILES | Brc1ccc2[nH]c3c(c2c1)CCN1[C@@]3(CCC1=O)CCCCCC |
Title of publication | Enantioselective Brønsted Acid-Catalyzed N-Acyliminium Cyclization Cascades |
Authors of publication | Michael E. Muratore; Chloe A. Holloway; Adam W. Pilling; R. Ian Storer; Graham Trevitt; Darren J. Dixon |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 10796 - 10797 |
a | 8.01 ± 0.002 Å |
b | 10.902 ± 0.002 Å |
c | 20.373 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1779.1 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0535 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for significantly intense reflections | 0.0699 |
Weighted residual factors for all reflections included in the refinement | 0.0733 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
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/4104811.html
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