Information card for entry 4132166

Structure parameters

• Common name: nv723
• Formula: C20 H22 N2 O5
• Calculated formula: C20 H22 N2 O5
• SMILES: O1C(=O)N[C@]2(C1)[C@]13N(C(=O)C[C@@]1(CC2)c1c(OC)c(OC)ccc1C=C3)C.O1C(=O)N[C@@]2(C1)[C@@]13N(C(=O)C[C@]1(CC2)c1c(OC)c(OC)ccc1C=C3)C
• 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: 8.2294 ± 0.001 Å
• b: 18.282 ± 0.002 Å
• c: 22.361 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3364.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0575
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No