Information card for entry 2232538

Structure parameters

• Chemical name: 2-Amino-4-phenyl-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile‒ 3-amino-1-phenyl-9,10-dihydrophenanthrene-2,4-dicarbonitrile (5/3)
• Formula: C20.75 H15 N3
• Calculated formula: C20.75 H15 N3
• SMILES: N#Cc1c(c2ccccc2)c2CCc3c(c2c(c1N)C#N)cccc3.N#Cc1c(c2ccccc2)c2CCc3c(c2nc1N)cccc3.N#Cc1c(c2ccccc2)c2CCc3c(c2nc1N)cccc3
• Title of publication: 2-Amino-4-phenyl-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile‒3-amino-1-phenyl-9,10-dihydrophenanthrene-2,4-dicarbonitrile (5/3)
• Authors of publication: Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2872
• a: 6.9611 ± 0.0002 Å
• b: 12.6093 ± 0.0002 Å
• c: 17.4933 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1535.47 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes