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Information card for entry 1506926
Preview
Coordinates | 1506926.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 9,9-difluoro-1-(morpholin-1-yl)bicyclo[6.1.0]nonane hydrobromide |
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Formula | C13 H22 Br F2 N O |
Calculated formula | C13 H22 Br F2 N O |
SMILES | [C@@]12([C@H](CCCCCC1)C2(F)F)[NH+]1CCOCC1.[Br-].[C@]12([C@@H](CCCCCC1)C2(F)F)[NH+]1CCOCC1.[Br-] |
Title of publication | Synthesis and properties of gem-(difluorocyclopropyl)amine derivatives of bicyclo[n.1.0]alkanes. |
Authors of publication | Nowak, Ireneusz; Cannon, John F.; Robins, Morris J. |
Journal of publication | Organic letters |
Year of publication | 2004 |
Journal volume | 6 |
Journal issue | 25 |
Pages of publication | 4767 - 4770 |
a | 12.6119 ± 0.0008 Å |
b | 7.2008 ± 0.0006 Å |
c | 16.4798 ± 0.0013 Å |
α | 90° |
β | 108.231 ± 0.006° |
γ | 90° |
Cell volume | 1421.5 ± 0.19 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0514 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0904 |
Weighted residual factors for all reflections included in the refinement | 0.0982 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKalpha |
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/1506926.html
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