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Information card for entry 7214427
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Coordinates | 7214427.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | decylamine |
---|---|
Formula | C10 H23 N |
Calculated formula | C10 H23 N |
SMILES | NCCCCCCCCCC |
Title of publication | Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines |
Authors of publication | Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 19 |
Pages of publication | 3867 |
a | 7.066 ± 0.0004 Å |
b | 26.8352 ± 0.0015 Å |
c | 5.573 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1056.74 ± 0.1 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0592 |
Residual factor for significantly intense reflections | 0.0536 |
Weighted residual factors for all reflections | 0.1229 |
Weighted residual factors for significantly intense reflections | 0.1187 |
Weighted residual factors for all reflections included in the refinement | 0.1229 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9762 |
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/7214427.html
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Users of the data should acknowledge the original authors of the
structural data.