Information card for entry 4025201

Structure parameters

• Formula: C42 H20 F6
• Calculated formula: C42 H20 F6
• Title of publication: meso-Substituted Bisanthenes as Soluble and Stable Near-infrared Dyes
• Authors of publication: Jinling Li; Kai Zhang; Xiaojie Zhang; Kuo-Wei Huang; Chunyan Chi; Jishan Wu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 856 - 863
• a: 10.9112 ± 0.0009 Å
• b: 7.7032 ± 0.0007 Å
• c: 34.108 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2866.8 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No