Information card for entry 7236843

Structure parameters

• Formula: C76 H86 N2 O4 Si2
• Calculated formula: C76 H86 N2 O4 Si2
• Title of publication: Orthogonal 4,10 and 6,12 substitution of dibenzo[def,mno]chrysene polycyclic aromatic small molecules
• Authors of publication: Koldemir, Unsal; Tinkham, Jonathan S.; Johnson, Robert; Lim, Bogyu; Yemam, Henok A.; Gagnon, Kevin J.; Parkin, Sean; Sellinger, Alan
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 34
• Pages of publication: 8723
• a: 8.5286 ± 0.0008 Å
• b: 13.2963 ± 0.0016 Å
• c: 15.0772 ± 0.0019 Å
• α: 64.392 ± 0.009°
• β: 89.43 ± 0.009°
• γ: 89.359 ± 0.008°
• Cell volume: 1541.7 ± 0.3 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No