Information card for entry 7150893

Structure parameters

• Formula: C43 H54 Cl3 N6 O4.5
• Calculated formula: C43 H54 Cl3 N6 O4.5
• Title of publication: Synthesis and characterization of indolocarbazole-quinoxalines with flat rigid structure for sensing fluoride and acetate anions
• Authors of publication: Wang, Ting; Bai, Yu; Ma, Liang; Yan, Xiu-Ping
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 1751 - 1755
• a: 12.077 ± 0.002 Å
• b: 13.878 ± 0.003 Å
• c: 14.279 ± 0.003 Å
• α: 108.73 ± 0.03°
• β: 107.18 ± 0.03°
• γ: 95.52 ± 0.03°
• Cell volume: 2116.5 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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 all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No