Information card for entry 1576664

Structure parameters

• Chemical name: tribenzo[a,c,j]picene (compound 11)
• Formula: C17 H10
• Calculated formula: C17 H10
• Title of publication: <i>L</i>-region-selective annulative π-extension through dearomative activation of polycyclic aromatic hydrocarbons.
• Authors of publication: Nakata, Kanami; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 3998 - 4003
• a: 26.78 ± 0.003 Å
• b: 3.886 ± 0.0004 Å
• c: 19.6341 ± 0.0018 Å
• α: 90°
• β: 102.831 ± 0.01°
• γ: 90°
• Cell volume: 1992.2 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No