Information card for entry 4036088

Structure parameters

• Common name: 3f in manuscript
• Formula: C64 H70 N4 O2 Si2
• Calculated formula: C64 H70 N4 O2 Si2
• Title of publication: Azaacenodibenzosuberones.
• Authors of publication: Brosius, Victor; Müller, Matthias; Borstelmann, Jan; Rominger, Frank; Freudenberg, Jan; Bunz, Uwe H. F.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 37.3457 ± 0.0009 Å
• b: 37.3457 ± 0.0009 Å
• c: 8.156 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11375.2 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No