Information card for entry 4132164

Structure parameters

• Common name: nv632cr
• Formula: C20 H23 N O5
• Calculated formula: C20 H23 N O5
• SMILES: O=C1N([C@@]23[C@@]4(C1)c1c(OC)c(OC)ccc1[C@H](OC[C@@]3(CC4)C=O)C2)C.O=C1N([C@]23[C@]4(C1)c1c(OC)c(OC)ccc1[C@@H](OC[C@]3(CC4)C=O)C2)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: 7.9677 ± 0.0002 Å
• b: 9.2454 ± 0.0002 Å
• c: 11.7448 ± 0.0003 Å
• α: 83.4692 ± 0.0008°
• β: 88.5722 ± 0.0009°
• γ: 80.9664 ± 0.0009°
• Cell volume: 848.88 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No