Information card for entry 1502420

Structure parameters

• Formula: C24 H23 N5
• Calculated formula: C24 H23 N5
• SMILES: N1C(C=C(c2c1c(c(nc2N)N(C)C)C#N)c1ccccc1)(C)c1ccccc1
• Title of publication: An expeditious and efficient synthesis of highly functionalized [1,6]-naphthyridines under catalyst-free conditions in aqueous medium.
• Authors of publication: Mukhopadhyay, Chhanda; Das, Paramita; Butcher, Ray J.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 4664 - 4667
• a: 27.867 ± 0.003 Å
• b: 10.0431 ± 0.0008 Å
• c: 14.5453 ± 0.0011 Å
• α: 90°
• β: 98.547 ± 0.009°
• γ: 90°
• Cell volume: 4025.6 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No