Information card for entry 7156395

Structure parameters

• Chemical name: 5,6-Bis(3-(trifluoromethyl)phenyl)-5,6-dihydrofuro[3,2-<i>b</i>:4,5-<i>b'</i>]diindole
• Formula: C30 H16 F6 N2 O
• Calculated formula: C30.001 H16 F6.003 N2 O
• Title of publication: Synthesis of furo[3,2-b:4,5-b']diindoles and their optical and electrochemical properties.
• Authors of publication: Hoang, Huy Do; Janke, Julia; Amirjanyan, Aneta; Ghochikyan, Tariel; Flader, Anika; Villinger, Alexander; Ehlers, Peter; Lochbrunner, Stefan; Surkus, Annette-Enrica; Langer, Peter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 35
• Pages of publication: 6543 - 6551
• a: 12.3782 ± 0.0003 Å
• b: 12.3739 ± 0.0003 Å
• c: 15.7294 ± 0.0004 Å
• α: 90°
• β: 99.479 ± 0.001°
• γ: 90°
• Cell volume: 2376.32 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No