Information card for entry 2238160

Structure parameters

• Chemical name: 4,7-Diphenyl-1,10-phenanthroline methanol hemisolvate
• Formula: C24.5 H18 N2 O0.5
• Calculated formula: C24.5 H18 N2 O0.5
• SMILES: c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.OC
• Title of publication: 4,7-Diphenyl-1,10-phenanthroline methanol hemisolvate
• Authors of publication: Martins, João P.; Martín-Ramos, Pablo; Sobral, Abílio J. F. N.; Ramos Silva, Manuela
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1018
• a: 7.2094 ± 0.0003 Å
• b: 14.8067 ± 0.0006 Å
• c: 18.1459 ± 0.0007 Å
• α: 109.797 ± 0.002°
• β: 99.921 ± 0.003°
• γ: 92.056 ± 0.003°
• Cell volume: 1785.99 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes