Information card for entry 4105636

Structure parameters

• Formula: C24 H26 N2 O4
• Calculated formula: C24 H26 N2 O4
• SMILES: CC(c1cc(c(C(=O)/C=C2/C(=O)c3c(cc(C(C)(C)C)cc3)N2)cc1)N(=O)=O)(C)C
• Title of publication: Gold-Catalyzed Stereoselective Synthesis of Azacyclic Compounds through a Redox/[2 + 2 + 1] Cycloaddition Cascade of Nitroalkyne Substrates
• Authors of publication: Appaso Mahadev Jadhav; Sabyasachi Bhunia; Hsin-Yi Liao; Rai-Shung Liu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1769 - 1771
• a: 9.0389 ± 0.0014 Å
• b: 10.0864 ± 0.0015 Å
• c: 13.588 ± 0.002 Å
• α: 72.58 ± 0.004°
• β: 88.295 ± 0.004°
• γ: 63.795 ± 0.004°
• Cell volume: 1052.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No