Information card for entry 2013185

Structure parameters

• Chemical name: 2-Nitroso-1,3-diphenyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
• Formula: C24 H19 N3 O
• Calculated formula: C24 H19 N3 O
• SMILES: O=NN1[C@H](Cc2nc3ccccc3cc2[C@H]1c1ccccc1)c1ccccc1.O=NN1[C@@H](Cc2nc3ccccc3cc2[C@@H]1c1ccccc1)c1ccccc1
• Title of publication: 2-Nitroso-1,3-diphenyl-1,2,3,4-tetrahydrobenzo[<i>b</i>][1,6]naphthyridine
• Authors of publication: Sivakumar, B.; Sethu Sankar, K.; Senthil Kumar, U. P.; Jeyaraman, R.; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o153 - o155
• a: 9.713 ± 0.006 Å
• b: 19.265 ± 0.008 Å
• c: 10.45 ± 0.002 Å
• α: 90°
• β: 105.74 ± 0.03°
• γ: 90°
• Cell volume: 1882.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes