Information card for entry 7121721

Structure parameters

• Common name: TAR in manuscript
• Formula: C42 H32 N4 O
• Calculated formula: C42 H32 N4 O
• Title of publication: Synthesis and characterization of two different azarubrenes
• Authors of publication: Xie, Ghaozan; Hahn, Sebastian; Rominger, Frank -; Freudenberg, Jan; Bunz, Uwe H. F.
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 7.7635 ± 0.0016 Å
• b: 18.657 ± 0.004 Å
• c: 21.765 ± 0.005 Å
• α: 97.536 ± 0.017°
• β: 90.005 ± 0.017°
• γ: 100.929 ± 0.017°
• Cell volume: 3067.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1773
• Residual factor for significantly intense reflections: 0.1112
• Weighted residual factors for significantly intense reflections: 0.2634
• Weighted residual factors for all reflections included in the refinement: 0.3154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No