Information card for entry 4036967

Structure parameters

• Formula: C32 H26 N4 O2
• Calculated formula: C32 H26 N4 O2
• SMILES: N1(N2C(=O)c3c(N4[C@@H]2c2c(cccc2)CC4)cccc3)[C@@H]2N(c3ccccc3C1=O)CCc1c2cccc1
• Title of publication: Scaffold Diversity through a Branching Double-Annulation Cascade Strategy: Iminium-Induced One-Pot Synthesis of Diverse Fused Tetrahydroisoquinoline Scaffolds.
• Authors of publication: Sharada, Duddu S.; Shinde, Anand H.; Patel, Srilaxmi M.; Vidyacharan, Shinde
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 15
• Pages of publication: 6463 - 6471
• a: 10.3261 ± 0.0008 Å
• b: 15.0211 ± 0.0008 Å
• c: 16.2026 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2513.2 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0263
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No