Information card for entry 7208857

Structure parameters

• Formula: C32 H26 N8 O2
• Calculated formula: C32 H26 N8 O2
• SMILES: n1cn(cc1)c1ccc(cc1)c1cncnc1.c1nccn1c1ccc(cc1)c1cncnc1.c1(ccc(cc1)O)O
• Title of publication: Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions
• Authors of publication: Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 577
• a: 9.8525 ± 0.0019 Å
• b: 10.375 ± 0.002 Å
• c: 13.982 ± 0.003 Å
• α: 72.383 ± 0.003°
• β: 89.789 ± 0.002°
• γ: 80.764 ± 0.003°
• Cell volume: 1343 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0788
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No