Information card for entry 2210741

Structure parameters

• Chemical name: 5,12-Dihydroquino[2,3-b]acridine-7,14-dithione dimethylacetamide disolvate
• Formula: C28 H30 N4 O2 S2
• Calculated formula: C28 H30 N4 O2 S2
• SMILES: N(C(=O)C)(C)C.S=C1c2ccccc2Nc2c1cc1c(C(=S)c3ccccc3N1)c2.N(C(=O)C)(C)C
• Title of publication: 5,12-Dihydroquino[2,3-<i>b</i>]acridine-7,14-dithione dimethylacetamide disolvate
• Authors of publication: Senju, Takatoshi; Hoki, Tomonori; Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4240 - o4242
• a: 7.353 ± 0.002 Å
• b: 8.328 ± 0.002 Å
• c: 11.832 ± 0.003 Å
• α: 97.706 ± 0.017°
• β: 105.859 ± 0.017°
• γ: 109.493 ± 0.017°
• Cell volume: 636.4 ± 0.3 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes