Information card for entry 2231463

Structure parameters

• Common name: 6,7,6',7'-Tetraphenyl-2,2'-bi[1,3-dithia-5,8- diazacyclopenta[<i>b</i>]naphthalenylidene] chloroform disolvate
• Chemical name: 2-{6,7-dimethyl-2<i>H</i>-[1,3]dithiolo[4,5-<i>g</i>]quinoxalin-2-ylidene}- 6,7-dimethyl-2<i>H</i>-[1,3]dithiolo[4,5-<i>g</i>]quinoxaline
• Formula: C44 H26 Cl6 N4 S4
• Calculated formula: C44 H26 Cl6 N4 S4
• SMILES: S1C(Sc2cc3nc(c4ccccc4)c(nc3cc12)c1ccccc1)=C1Sc2cc3c(nc(c(n3)c3ccccc3)c3ccccc3)cc2S1.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: 6,7,6',7'-Tetraphenyl-2,2'-bi[1,3-dithia-5,8-diazacyclopenta[<i>b</i>]naphthalenylidene] chloroform disolvate
• Authors of publication: Bolligarla, Ramababu; Durgaprasad, Gummadi; Das, Samar K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2231 - o2232
• a: 14.5359 ± 0.0011 Å
• b: 14.7543 ± 0.0011 Å
• c: 39.771 ± 0.003 Å
• α: 90°
• β: 97.616 ± 0.002°
• γ: 90°
• Cell volume: 8454.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes