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Information card for entry 2009408
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Coordinates | 2009408.cif |
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Original IUCr paper | HTML |
Common name | tetramethyloxaheptanedinitrile |
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Chemical name | 2,2,6,6-tetramethyl-4-oxaheptanedinitrile |
Formula | C10 H16 N2 O |
Calculated formula | C10 H16 N2 O |
SMILES | N#CC(COCC(C#N)(C)C)(C)C |
Title of publication | Structure of 2,2,6,6-tetramethyl-4-oxaheptanedinitrile |
Authors of publication | Ferguson, George; Gallagher, John F.; McAlees, Alan J. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1994 |
Journal volume | 50 |
Journal issue | 1 |
Pages of publication | 77 - 78 |
a | 6.6495 ± 0.0004 Å |
b | 9.8627 ± 0.0007 Å |
c | 17.6172 ± 0.0012 Å |
α | 90° |
β | 91.286 ± 0.005° |
γ | 90° |
Cell volume | 1155.08 ± 0.13 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
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 | 0.227 |
Residual factor for significantly intense reflections | 0.05 |
Weighted residual factors for all reflections | 0.06 |
Weighted residual factors for significantly intense reflections | 0.042 |
Goodness-of-fit parameter for significantly intense reflections | 1.3 |
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/2009408.html
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