Information card for entry 7154956

Structure parameters

• Formula: C27 H23 N3 O3
• Calculated formula: C27 H23 N3 O3
• SMILES: [nH]1c2c(c3nc4c(cc3c1=O)cc(cc4C(=O)NCc1ccc(OC)cc1)C)cc(cc2)C
• Title of publication: Iodine-catalyzed synthesis of dibenzo[b,h][1,6]naphthyridine-11-carboxamides via a domino reaction involving double elimination of hydrogen bromide.
• Authors of publication: Feng, Bin-Bin; Lu, Lian; Li, Chao; Wang, Xiang-Shan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 2774 - 2779
• a: 14.9522 ± 0.0006 Å
• b: 14.9522 ± 0.0006 Å
• c: 39.844 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8907.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No