Information card for entry 1548126

Structure parameters

• Formula: C29 H24 N2 O
• Calculated formula: C29 H24 N2 O
• SMILES: O=C1N([C@@]2(N([C@@H]1c1ccccc1)CCc1c2cccc1)c1ccccc1)c1ccccc1.O=C1N([C@]2(N([C@H]1c1ccccc1)CCc1c2cccc1)c1ccccc1)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: 10.6445 ± 0.0005 Å
• b: 18.8991 ± 0.001 Å
• c: 11.1931 ± 0.0006 Å
• α: 90°
• β: 109.71 ± 0.001°
• γ: 90°
• Cell volume: 2119.81 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No