Information card for entry 1557565

Structure parameters

• Common name: 1, 2, 3, 4-Tetramethyl-r-3-nitro-c-6-trinitromethylcyclo-hexa-1,4-diene
• Formula: C11 H14 N4 O8
• Calculated formula: C11 N4 O8
• Title of publication: Photochemical Nitration by Tetranitromethane, Part XXXI. The Photochemical Reaction of 1,2,3,4-Tetramethylbenzene and Tetranitromethane
• Authors of publication: Butts, Craig P.; Eberson, Lennart; Fulton, Karen L.; Hartshorn, Michael P.; Jamieson, Geoffrey B.; Robinson, Ward T.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1996
• Journal volume: 50
• Pages of publication: 735 - 744
• a: 8.317 ± 0.001 Å
• b: 10.277 ± 0.002 Å
• c: 33.1 ± 0.002 Å
• α: 90°
• β: 94.9 ± 0.01°
• γ: 90°
• Cell volume: 2818.8 ± 0.7 ų
• Ambient diffraction temperature: 151 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No