Information card for entry 4132158

Structure parameters

• Formula: C19 H23 N O5
• Calculated formula: C19 H23 N O5
• SMILES: C1(=O)C[C@]23c4c(c(ccc4CC[C@]2([C@H](CC3)C(=O)OC)N1)OC)OC.C1(=O)C[C@@]23c4c(c(ccc4CC[C@@]2([C@@H](CC3)C(=O)OC)N1)OC)OC
• Title of publication: Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.
• Authors of publication: Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 28
• Pages of publication: 8675 - 8680
• a: 7.6612 ± 0.0004 Å
• b: 20.3093 ± 0.0009 Å
• c: 10.7852 ± 0.0005 Å
• α: 90°
• β: 90.6667 ± 0.0015°
• γ: 90°
• Cell volume: 1677.99 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0625
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No