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Information card for entry 2212643
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Coordinates | 2212643.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | N,N-Diisobutyl-N'-(2-thienylcarbonyl)thiourea |
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Formula | C14 H22 N2 O S2 |
Calculated formula | C14 H22 N2 O S2 |
Title of publication | <i>N</i>,<i>N</i>-Diisobutyl-<i>N</i>'-(2-thienylcarbonyl)thiourea |
Authors of publication | Ligia R. Gomes.; Luis M. N. B. F. Santos; Schröder, B.; Wagner, Ch. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 3 |
Pages of publication | o1158 - o1159 |
a | 12.072 ± 0.0006 Å |
b | 8.5169 ± 0.0007 Å |
c | 16.7544 ± 0.0018 Å |
α | 90° |
β | 109.243 ± 0.006° |
γ | 90° |
Cell volume | 1626.4 ± 0.2 Å3 |
Cell temperature | 290 ± 2 K |
Ambient diffraction temperature | 290 ± 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 | 0.0626 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.0945 |
Weighted residual factors for all reflections included in the refinement | 0.1066 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2212643.html
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