Information card for entry 1548125

Structure parameters

• Formula: C23 H20 N2 O
• Calculated formula: C23 H20 N2 O
• SMILES: O=C1N([C@@H]2N([C@@H]1c1ccccc1)CCc1ccccc21)c1ccccc1.O=C1N([C@H]2N([C@H]1c1ccccc1)CCc1ccccc21)c1ccccc1
• Title of publication: Synthesis of Polycyclic Imidazolidinones via Amine Redox-Annulation.
• Authors of publication: Zhu, Zhengbo; Lv, Xin; Anesini, Jason E.; Seidel, Daniel
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 23
• Pages of publication: 6424 - 6427
• a: 7.7845 ± 0.0007 Å
• b: 10.4296 ± 0.0009 Å
• c: 11.802 ± 0.001 Å
• α: 85.724 ± 0.002°
• β: 74.803 ± 0.002°
• γ: 69.047 ± 0.002°
• Cell volume: 863.35 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No