Information card for entry 2020810

Structure parameters

• Chemical name: (1α,2β,4β,5α,16α,17β,19β,20α)-1,5,16,20-Tetrachloro-31,31,32,32-tetramethoxy-11,26-bis[5-(thiophen-2-yl)thiophen-2-yl]-7,14,22,29-tetraazanonacyclo[18.10.1.1^5,16^.0^2,19^.0^4,17^.0^6,15^.0^8,13^.0^21,30^.0^23,28^]dotriaconta-6(15),7,9,11,13,21(30),22,24,26,28-decaene chloroform monosolvate
• Formula: C49 H37 Cl7 N4 O4 S4
• Calculated formula: C49 H37 Cl7 N4 O4 S4
• Title of publication: Crystal structure of a fluorescent C-shaped molecule containing closely stacked bithiophene-substituted quinoxaline rings
• Authors of publication: Wickham, Laura M.; Tanski, Joseph M.; Nadeau, Jocelyn M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 3
• Pages of publication: 276 - 279
• a: 10.242 ± 0.001 Å
• b: 11.807 ± 0.0011 Å
• c: 22.297 ± 0.002 Å
• α: 80.453 ± 0.002°
• β: 84.916 ± 0.002°
• γ: 64.733 ± 0.001°
• Cell volume: 2404.1 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes