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Information card for entry 2007320
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Coordinates | 2007320.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | N-(2-(N-Oxido-N'-hydroxydiazinyl)-3-methylbutyl)octanamide |
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Formula | C13 H27 N3 O3 |
Calculated formula | C13 H27 N3 O3 |
SMILES | CC(C(CNC(=O)CCCCCCC)N(=NO)=O)C |
Title of publication | <i>N</i>-[2-(<i>N</i>'-Hydroxy-<i>N</i>-oxidodiaziniumyl)-3-methylbutyl]octanamide |
Authors of publication | Chang, Rakwoo; Shin, Whanchul |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1998 |
Journal volume | 54 |
Journal issue | 6 |
Pages of publication | 827 - 829 |
a | 14.669 ± 0.007 Å |
b | 10.722 ± 0.008 Å |
c | 10.802 ± 0.006 Å |
α | 90° |
β | 99.55 ± 0.08° |
γ | 90° |
Cell volume | 1675.4 ± 1.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.111 |
Residual factor for significantly intense reflections | 0.067 |
Weighted residual factors for all reflections | 0.198 |
Weighted residual factors for significantly intense reflections | 0.159 |
Goodness-of-fit parameter for all reflections | 1.028 |
Goodness-of-fit parameter for significantly intense reflections | 1.083 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2007320.html
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