Information card for entry 2201880

Structure parameters

• Chemical name: 5-Amino-4-(4-dimethylaminophenyl)-2-(4-methoxyphenyl)-7-(pyrrolidin-1-yl)- 1,6-naphthyridine-8-carbonitrile
• Formula: C28 H28 N6 O
• Calculated formula: C28 H28 N6 O
• SMILES: n1c(cc(c2c(nc(c(c12)C#N)N1CCCC1)N)c1ccc(cc1)N(C)C)c1ccc(cc1)OC
• Title of publication: 5-Amino-4-(4-dimethylaminophenyl)-2-(4-methoxyphenyl)-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile
• Authors of publication: Sundari Bhaskaran; M. Yogavel; V. Rajakannan; R. Krishna; D. Velmurugan; V. Raghukumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o200 - o202
• a: 10.671 ± 0.002 Å
• b: 10.974 ± 0.001 Å
• c: 11.826 ± 0.002 Å
• α: 82.82 ± 0.01°
• β: 64.04 ± 0.01°
• γ: 78.32 ± 0.01°
• Cell volume: 1218.3 ± 0.3 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: 0.2872
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes