Information card for entry 7120181

Structure parameters

• Formula: C28 H30 N2 O4
• Calculated formula: C28 H30 N2 O4
• SMILES: N1([C@H]2[C@@]3([C@H](C1=O)N(C(=O)/C3=C/C)Cc1ccc(cc1)OC)c1c(C(=O)C2)cccc1)C(C)(C)C.N1([C@@H]2[C@]3([C@@H](C1=O)N(C(=O)/C3=C/C)Cc1ccc(cc1)OC)c1c(C(=O)C2)cccc1)C(C)(C)C
• Title of publication: Gold-catalyzed diastereoselective domino dearomatization/ipso-cyclization/aza-Michael sequence: A facile access to diverse fused azaspiro tetracyclic scaffolds
• Authors of publication: He, Yi; Li, Zhenghua; Tian, Guilong; Song, Liangliang; Van Meervelt, Luc; Van der Eycken, Erik V�lery
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 17.4289 ± 0.001 Å
• b: 9.98 ± 0.0005 Å
• c: 28.046 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4878.3 ± 0.4 ų
• Cell temperature: 293.8 ± 0.3 K
• Ambient diffraction temperature: 293.8 ± 0.3 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: 0.1001
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No