Information card for entry 2205464

Structure parameters

• Common name: 2-(4-bromophenyl)-1-methyl-1H-phenanthro[9,10-d]imidazole
• Chemical name: 2-(4-bromophenyl)-1-methyl-1H-phenanthro[9,10-d]imidazole
• Formula: C22 H15 Br N2
• Calculated formula: C22 H15 Br N2
• SMILES: Brc1ccc(c2nc3c(c4ccccc4c4ccccc34)n2C)cc1
• Title of publication: 2-(4-Bromophenyl)-1-methyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole
• Authors of publication: Christian B. Nielsen; Michael Pittelkow; Henning O. Sørensen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o955 - o956
• a: 6.0163 ± 0.0004 Å
• b: 29.332 ± 0.003 Å
• c: 9.1726 ± 0.0008 Å
• α: 90 ± 0.007°
• β: 90 ± 0.007°
• γ: 90 ± 0.007°
• Cell volume: 1618.7 ± 0.2 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes