Information card for entry 2209486

Structure parameters

• Common name: 10,10'-Dinitro-10,10'-(butane-1,4-diyl)di-10H-anthracen-9-one
• Chemical name: 10,10'-Dinitro-10,10'-(butane-1,4-diyl)dianthracen-9(10H)-one
• Formula: C32 H24 N2 O6
• Calculated formula: C32 H24 N2 O6
• SMILES: O=C1c2ccccc2C(c2c1cccc2)(CCCCC1(N(=O)=O)c2ccccc2C(c2c1cccc2)=O)N(=O)=O
• Title of publication: 10,10'-Dinitro-10,10'-(butane-1,4-diyl)dianthracen-9(10<i>H</i>)-one
• Authors of publication: Arslan, Mustafa; Asker, Erol; Masnovi, John; Baker, Ronald J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2819 - o2821
• a: 11.316 ± 0.001 Å
• b: 8.33 ± 0.001 Å
• c: 13.88 ± 0.002 Å
• α: 90°
• β: 97.728 ± 0.009°
• γ: 90°
• Cell volume: 1296.5 ± 0.3 ų
• Cell temperature: 295 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes