Information card for entry 7153391

Structure parameters

• Formula: C47 H33 F6
• Calculated formula: C47 H33 F6
• SMILES: C1(=C2c3c(c4ccccc24)cccc3)C(=C/c2ccc(cc2)C(F)(F)F)C2(C1c1ccc(cc1)C(F)(F)F)c1ccccc1c1ccccc21.CCCCCC
• 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: 9.0486 ± 0.0015 Å
• b: 11.2654 ± 0.0019 Å
• c: 18.715 ± 0.003 Å
• α: 91.991 ± 0.003°
• β: 101.326 ± 0.003°
• γ: 109.783 ± 0.003°
• Cell volume: 1749.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No