Information card for entry 2212967

Structure parameters

• Chemical name: 2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline
• Formula: C26 H20 N2
• Calculated formula: C26 H20 N2
• SMILES: Cc1cc(c2ccccc2)c2c(n1)c1nc(C)cc(c1cc2)c1ccccc1
• Title of publication: 2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline
• Authors of publication: Wang, Jia; Ye, Jun-Wei; Wang, Yue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o2007 - o2008
• a: 16.4953 ± 0.0019 Å
• b: 10.6869 ± 0.001 Å
• c: 11.4661 ± 0.001 Å
• α: 90°
• β: 109.12 ± 0.03°
• γ: 90°
• Cell volume: 1909.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes