Information card for entry 7111950

Structure parameters

• Formula: C112 H170 N4 Si6
• Calculated formula: C112 H170 N4 Si6
• Title of publication: Twisted pyrene-fused azaacenes
• Authors of publication: Sandeep More; Sunil Choudhary; Alexander Higelin; Ingo Krossing; Manuel Melle-Franco; Aurelio Mateo-Alonso
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1976
• a: 8.7047 ± 0.0003 Å
• b: 22.2249 ± 0.0007 Å
• c: 28.1465 ± 0.0009 Å
• α: 90°
• β: 98.745 ± 0.002°
• γ: 90°
• Cell volume: 5382 ± 0.3 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: 0.1021
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No