Information card for entry 7203949

Structure parameters

• Chemical name: Dibenzo[fg,ij]phenanthro[3,2,1,10,9-pqrst]pentaphene
• Formula: C36 H18
• Calculated formula: C36 H18
• SMILES: c12c3c4c5c(c6c(c7c5c(c5c4c(c4c3c(c3c1cccc3)ccc4)ccc5)ccc7)cccc6)c2
• Title of publication: Synthesis and crystal packing of large polycyclic aromatic hydrocarbons: hexabenzo[bc,ef,hi,kl,no,qr]coronene and dibenzo[fg,ij]phenanthro[9,10,1,2,3-pqrst]pentaphene
• Authors of publication: Kübel, Christian; Eckhardt, Karin; Enkelmann, Volker; Wegner, Gerhard; Müllen, Klaus
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2000
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 879
• a: 45.381 ± 0.001 Å
• b: 5.1771 ± 0.0007 Å
• c: 18.266 ± 0.001 Å
• α: 90°
• β: 106.293 ± 0.006°
• γ: 90°
• Cell volume: 4119.1 ± 0.6 ų
• Cell temperature: 298 ± 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 significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.057
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No