Information card for entry 4023650

Structure parameters

• Formula: C18 H23 N O4
• Calculated formula: C18 H23 N O4
• SMILES: C1(=O)C(=C(C(=O)[C@@H]2[C@H]([C@@H]3[C@H]([C@@H]4CCN1[C@H]24)CC(=O)O3)CC)C)C.C1(=O)C(=C(C(=O)[C@H]2[C@@H]([C@H]3[C@@H]([C@H]4CCN1[C@@H]24)CC(=O)O3)CC)C)C
• Title of publication: A Protecting Group Free Synthesis of (\±)-Neostenine via the [5 + 2] Photocycloaddition of Maleimides
• Authors of publication: Michael D. Lainchbury; Marcus I. Medley; Piers M. Taylor; Paul Hirst; Wolfgang Dohle; Kevin I. Booker-Milburn
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 6497 - 6505
• a: 11.7444 ± 0.0016 Å
• b: 7.6959 ± 0.001 Å
• c: 34.758 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3141.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0622
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No