Information card for entry 4132168

Structure parameters

• Common name: NV1216AA
• Formula: C24 H32 N2 O8
• Calculated formula: C24 H32 N2 O8
• SMILES: O(C(=O)N[C@]12C(=O)O[C@@H]3C[C@@]41N(C(=O)C[C@@]4(CC2)c1c(OC)c(OC)ccc31)C)C(C)(C)C.O.O(C(=O)N[C@@]12C(=O)O[C@H]3C[C@]41N(C(=O)C[C@]4(CC2)c1c(OC)c(OC)ccc31)C)C(C)(C)C.O
• 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: 10.0419 ± 0.0007 Å
• b: 18.4401 ± 0.001 Å
• c: 12.5503 ± 0.0007 Å
• α: 90°
• β: 93.409 ± 0.002°
• γ: 90°
• Cell volume: 2319.9 ± 0.2 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: 0.0475
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No