Information card for entry 2216417

Structure parameters

• Chemical name: (7Z,7'Z)-2,2-Dimethyl-7,7'-(1,2,4-trithiolane-3,5-diylidene)bis[quinolin- 8(7H)-one] chloroform disolvate
• Formula: C24 H16 Cl6 N2 O2 S3
• Calculated formula: C24 H16 Cl6 N2 O2 S3
• SMILES: O=C1C(=C2\SS/C(=C3/C=Cc4c(C3=O)nc(cc4)C)S2)/C=Cc2c1nc(C)cc2.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: (7<i>Z</i>,7'<i>Z</i>)-2,2-Dimethyl-7,7'-(1,2,4-trithiolane-3,5-diylidene)bis[quinolin-8(7<i>H</i>)-one] chloroform disolvate
• Authors of publication: Chojnacki, Jaroslaw; Skop, Patrycja; Pladzyk, Agnieszka; Nycz, Jacek E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4773 - o4774
• a: 23.7359 ± 0.0013 Å
• b: 10.6749 ± 0.0006 Å
• c: 11.1128 ± 0.0006 Å
• α: 90°
• β: 104.149 ± 0.005°
• γ: 90°
• Cell volume: 2730.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes