Information card for entry 7202749

Structure parameters

• Formula: C28 H18 N4
• Calculated formula: C28 H18 N4
• SMILES: n1(c2c3c(c(n4c5c(nc4)cccc5)c4c2cccc4)cccc3)c2ccccc2nc1
• Title of publication: Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties
• Authors of publication: Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 412
• a: 16.017 ± 0.004 Å
• b: 10.324 ± 0.003 Å
• c: 12.342 ± 0.003 Å
• α: 90°
• β: 104.048 ± 0.005°
• γ: 90°
• Cell volume: 1979.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No