Information card for entry 2207417

Structure parameters

• Chemical name: E)-9,10-Dihydro-9-methyl-9-nitro-10-(trinitromethyl)anthracene
• Formula: C16 H12 N4 O8
• Calculated formula: C16 H12 N4 O8
• SMILES: O=N(=O)C(N(=O)=O)(N(=O)=O)C1c2c(C(N(=O)=O)(c3c1cccc3)C)cccc2
• Title of publication: (<i>E</i>)-9,10-Dihydro-9-methyl-9-nitro-10-(trinitromethyl)anthracene
• Authors of publication: Arslan, Mustafa; Baker, Ronald J.; Masnovi, John; Asker, Erol
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4133 - o4135
• a: 7.9797 ± 0.0006 Å
• b: 13.5449 ± 0.001 Å
• c: 15.3793 ± 0.0009 Å
• α: 90°
• β: 91.816 ± 0.006°
• γ: 90°
• Cell volume: 1661.4 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes