Information card for entry 4038667

Structure parameters

• Formula: C36 H37 N5 O3
• Calculated formula: C36 H37 N5 O3
• SMILES: o1c(nnc1c1ccccc1)CC[C@@]12N([C@@H]3[C@H]([C@@H]1C(=O)NC(C)(C)C)COc1c3cccc1)CCc1c2[nH]c2c1cccc2.o1c(nnc1c1ccccc1)CC[C@]12N([C@H]3[C@@H]([C@H]1C(=O)NC(C)(C)C)COc1c3cccc1)CCc1c2[nH]c2c1cccc2
• Title of publication: Divergent Strategy for Diastereocontrolled Synthesis of Small- and Medium-Ring Architectures
• Authors of publication: Srinivasulu, Vunnam; Schilf, Paul; Ibrahim, Saleh; Shehadi, Ihsan A.; Malik, Omar G.; Sieburth, Scott; Khanfar, Monther A.; Hamad, Mohamad; Abu-Yousef, Imad A.; Majdalawieh, Amin F.; Al-Tel, Taleb H.
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2020
• a: 23.94 ± 0.03 Å
• b: 10.015 ± 0.003 Å
• c: 26.173 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6275 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.4631
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No