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Information card for entry 1570478
Preview
Coordinates | 1570478.cif |
---|---|
Original IUCr paper | HTML |
Common name | Fixolide 4-methylthiosemicarbazone |
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Chemical name | 2-{1-[(6<i>R</i>,<i>S</i>)-3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-<i>N</i>-methylhydrazinecarboamide |
Formula | C20 H31 N3 S |
Calculated formula | C20 H31 N3 S |
Title of publication | 2-{1-[(6R,S)-3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethylidene}-N-methylhydrazinecarbothioamide |
Authors of publication | Melo, Ana Paula Lopes de; Flores, Alex Fabiani Claro; Bresolin, Leandro; Tirloni, Bárbara; Oliveira, Adriano Bof de |
Journal of publication | IUCrData |
Year of publication | 2023 |
Journal volume | 8 |
Journal issue | 11 |
a | 5.867 ± 0.003 Å |
b | 11.79 ± 0.004 Å |
c | 27.983 ± 0.009 Å |
α | 90° |
β | 94.907 ± 0.014° |
γ | 90° |
Cell volume | 1928.5 ± 1.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.1261 |
Residual factor for significantly intense reflections | 0.0785 |
Weighted residual factors for significantly intense reflections | 0.1771 |
Weighted residual factors for all reflections included in the refinement | 0.2012 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation probe | x-ray |
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/1570478.html
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Users of the data should acknowledge the original authors of the
structural data.