Information card for entry 8105984

Structure parameters

• Chemical name: 1,5-dinitro-2,3,4-trichlorobenzene
• Formula: C6 H Cl3 N2 O4
• Calculated formula: C6 H Cl3 N2 O4
• Title of publication: The crystal structure of 1,5-dinitro-2,3,4-trichlorobenzene, C6H1Cl3N2O4
• Authors of publication: Peilan, Wang; Jianlong, Wang; Lizhen, Chen; Zihao, Zhao; Cai, Cao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 6
• Pages of publication: 1217 - 1218
• a: 5.3193 ± 0.0002 Å
• b: 11.3307 ± 0.0004 Å
• c: 15.1131 ± 0.0005 Å
• α: 90°
• β: 93.329 ± 0.001°
• γ: 90°
• Cell volume: 909.35 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.029
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No