Information card for entry 7153392

Structure parameters

• Formula: C50 H40 F6
• Calculated formula: C44 H26 F6
• SMILES: C1([C@@H]([C@H](C1=C1c2ccccc2c2ccccc12)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)=C1c2ccccc2c2ccccc12.C1([C@H]([C@@H](C1=C1c2ccccc2c2ccccc12)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)=C1c2ccccc2c2ccccc12
• Title of publication: Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.
• Authors of publication: Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 17
• Pages of publication: 3997 - 4010
• a: 10.154 ± 0.003 Å
• b: 16.592 ± 0.004 Å
• c: 23.131 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3897 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No