Information card for entry 4132160

Structure parameters

• Common name: NV472cr
• Formula: C19 H23 N O5
• Calculated formula: C19 H23 N O5
• SMILES: C1(=O)C[C@]23[C@]([C@@H](CC2)C(=O)OC)(CCc2c3c(c(cc2)OC)OC)N1
• 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: 25.0443 ± 0.0007 Å
• b: 6.8179 ± 0.0002 Å
• c: 10.1504 ± 0.0003 Å
• α: 90°
• β: 96.3846 ± 0.0009°
• γ: 90°
• Cell volume: 1722.43 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No