Information card for entry 1503123

Structure parameters

• Formula: C24 H24 N2 O6 S
• Calculated formula: C24 H24 N2 O6 S
• SMILES: S(=O)(=O)(N1CC(=C(C1)C=C)C(/C=C/c1ccccc1)C(=O)OCC)c1ccc(N(=O)=O)cc1
• Title of publication: Ruthenium-catalyzed tandem ring-opening/ring-closing/cross-metathesis of 1,6-cyclopropene-ynes and olefins for the construction of the 3-pyrroline skeleton.
• Authors of publication: Zhu, Zhi-Bin; Shi, Min
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 4462 - 4465
• a: 13.5739 ± 0.0016 Å
• b: 15.7377 ± 0.0017 Å
• c: 11.1867 ± 0.0013 Å
• α: 90°
• β: 101.209 ± 0.002°
• γ: 90°
• Cell volume: 2344.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0889
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No