Information card for entry 7236842

Structure parameters

• Formula: C52 H56 S2 Si2
• Calculated formula: C52 H56 S2 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: 12.9931 ± 0.0005 Å
• b: 11.3571 ± 0.0004 Å
• c: 15.9701 ± 0.0006 Å
• α: 90°
• β: 109.323 ± 0.002°
• γ: 90°
• Cell volume: 2223.86 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.8857 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No