Information card for entry 2206038

Structure parameters

• Chemical name: 2,9-dichloro-5,12-dihydroquino[2,3-b]acridine- 7,14-dithione dimethylacetamide disolvate
• Formula: C28 H28 Cl2 N4 O2 S2
• Calculated formula: C28 H28 Cl2 N4 O2 S2
• SMILES: Clc1cc2c(Nc3cc4C(=S)c5cc(Cl)ccc5Nc4cc3C2=S)cc1.O=C(N(C)C)C.O=C(N(C)C)C
• Title of publication: The monoclinic form of 2,9-dichloro-5,12-dihydroquino[2,3-<i>b</i>]acridine-7,14-dithione dimethylacetamide disolvate
• Authors of publication: Hoki, Tomonori; Senju, Takatoshi; Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1927 - o1929
• a: 14.0463 ± 0.0012 Å
• b: 7.7507 ± 0.0007 Å
• c: 25.092 ± 0.002 Å
• α: 90°
• β: 90.446 ± 0.006°
• γ: 90°
• Cell volume: 2731.6 ± 0.4 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes