Information card for entry 7153394

Structure parameters

• Formula: C23 H16
• Calculated formula: C23 H16
• 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: 4.6169 ± 0.0007 Å
• b: 19.62 ± 0.003 Å
• c: 17.062 ± 0.002 Å
• α: 90°
• β: 92.789 ± 0.003°
• γ: 90°
• Cell volume: 1543.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.0465
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No