Information card for entry 7121724

Structure parameters

• Common name: DARO2 in manuscript
• Formula: C40 H26 N2
• Calculated formula: C40 H26 N2
• 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: 7.0727 ± 0.0007 Å
• b: 8.2696 ± 0.0008 Å
• c: 11.855 ± 0.001 Å
• α: 90.402 ± 0.007°
• β: 106.039 ± 0.007°
• γ: 97.605 ± 0.008°
• Cell volume: 659.84 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.788
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No