Information card for entry 1555964

Structure parameters

• Common name: SCX15_050
• Formula: C27 H27 N3
• Calculated formula: C27 H27 N3
• SMILES: N12C3N(C4N(C2c2c(CC1)cccc2)CCc1c4cccc1)CCc1ccccc31
• Title of publication: Copper-Catalyzed Asymmetric Propargylation of Cyclic Aldimines.
• Authors of publication: Fandrick, Daniel R.; Hart, Christine A.; Okafor, Ifeanyi S.; Mercadante, Michael A.; Sanyal, Sanjit; Masters, James T.; Sarvestani, Max; Fandrick, Keith R.; Stockdill, Jennifer L.; Grinberg, Nelu; Gonnella, Nina; Lee, Heewon; Senanayake, Chris H.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 6192 - 6195
• a: 10.8707 ± 0.0003 Å
• b: 12.3272 ± 0.0003 Å
• c: 16.2931 ± 0.0004 Å
• α: 79.118 ± 0.002°
• β: 82.74 ± 0.002°
• γ: 72.757 ± 0.002°
• Cell volume: 2041.96 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No