Information card for entry 7054490

Structure parameters

• Formula: C32 H22 N2 O
• Calculated formula: C32 H22 N2 O
• SMILES: c12c3ccccc3c3ccccc3c1n(c(c1cccc3ccccc13)n2)c1ccc(cc1)OC
• Title of publication: Synthesis and optical properties of phenanthromidazole derivatives for organic electroluminescent devices
• Authors of publication: Jayabharathi, Jayaraman; Ramanathan, Periyasamy; Thanikachalam, Venugopal
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 142
• a: 12.3316 ± 0.0007 Å
• b: 21.3475 ± 0.0011 Å
• c: 8.8212 ± 0.0005 Å
• α: 90°
• β: 92.34 ± 0.003°
• γ: 90°
• Cell volume: 2320.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1092
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No