Information card for entry 7121723

Structure parameters

• Common name: TARO2 in manuscript
• Formula: C38 H24 N4 O2
• Calculated formula: C38 H24 N4 O2
• 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: 29.9853 ± 0.0018 Å
• b: 29.9853 ± 0.0018 Å
• c: 14.2542 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12816.2 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1398
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.2181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No