Information card for entry 2238605

Structure parameters

• Common name: 5,6-dimethyl-1,10-phenanthroline
• Chemical name: 5,6-Dimethyl-1,10-phenanthroline
• Formula: C14 H12 N2
• Calculated formula: C14 H12 N2
• SMILES: Cc1c(C)c2cccnc2c2c1cccn2
• Title of publication: 5,6-Dimethyl-1,10-phenanthroline
• Authors of publication: Rozenel, Sergio S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1560
• a: 7.1932 ± 0.0007 Å
• b: 10.0572 ± 0.001 Å
• c: 13.8729 ± 0.0013 Å
• α: 90°
• β: 93.673 ± 0.005°
• γ: 90°
• Cell volume: 1001.55 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No