Information card for entry 1511878

Structure parameters

• Formula: C31 H28 N2 O6
• Calculated formula: C31 H28 N2 O6
• SMILES: N1(C(=O)C2=C3C1=CC(C1=C3N(c3c2cccc3)CC(C(=C1)C(=O)OC)C(=O)OC)(C)C)c1ccc(OC)cc1
• Title of publication: Highly selective domino multicyclizations for forming polycyclic fused acridines and azaheterocyclic skeletons.
• Authors of publication: Jiang, Bo; Wang, Xue; Xu, Hai-Wei; Tu, Man-Su; Tu, Shu-Jiang; Li, Guigen
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 1540 - 1543
• a: 16.7024 ± 0.0015 Å
• b: 8.0751 ± 0.0007 Å
• c: 19.7821 ± 0.0017 Å
• α: 90°
• β: 92.799 ± 0.001°
• γ: 90°
• Cell volume: 2664.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No