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Information card for entry 8105575
Preview
Coordinates | 8105575.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1,2-dimethyl-3,6-dinitrobenzene |
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Formula | C8 H8 N2 O4 |
Calculated formula | C8 H8 N2 O4 |
Title of publication | The crystal structure of 2,3-dimethyl-1,4-dinitrobenzene – a Z′ = 4 structure, C8H8N2O4 |
Authors of publication | Fanfan, Shen; Shaomin, Xue; Jianlong, Wang |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2018 |
Journal volume | 234 |
Journal issue | 1 |
Pages of publication | 161 - 163 |
a | 9.1093 ± 0.0005 Å |
b | 13.243 ± 0.0008 Å |
c | 15.4334 ± 0.001 Å |
α | 106.544 ± 0.002° |
β | 98.15 ± 0.002° |
γ | 96.151 ± 0.002° |
Cell volume | 1745.22 ± 0.18 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1068 |
Residual factor for significantly intense reflections | 0.0508 |
Weighted residual factors for significantly intense reflections | 0.096 |
Weighted residual factors for all reflections included in the refinement | 0.1141 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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