Information card for entry 2221435

Structure parameters

• Chemical name: 2-(2,4,6-Trimethylphenyl)-1,10-phenanthroline
• Formula: C21 H18 N2
• Calculated formula: C21 H18 N2
• SMILES: n1cccc2ccc3ccc(nc3c12)c1c(cc(cc1C)C)C
• Title of publication: 2-(2,4,6-Trimethylphenyl)-1,10-phenanthroline
• Authors of publication: Zhao, Yuxin; Zhang, Yongping; Yang, Peiju; Wu, Biao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o932
• a: 14.5778 ± 0.0019 Å
• b: 8.9877 ± 0.0011 Å
• c: 13.579 ± 0.0011 Å
• α: 90°
• β: 112.166 ± 0.004°
• γ: 90°
• Cell volume: 1647.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0943
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes