Information card for entry 7121722

Structure parameters

• Common name: DAR in manuscript
• Formula: C40 H26 N2 O2
• Calculated formula: C40 H26 N2 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: 13.9299 ± 0.0007 Å
• b: 11.201 ± 0.0005 Å
• c: 18.2839 ± 0.0009 Å
• α: 90°
• β: 96.8662 ± 0.0014°
• γ: 90°
• Cell volume: 2832.4 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No