Information card for entry 1503473

Structure parameters

• Formula: C34 H32 F2 N2 O4 S2
• Calculated formula: C34 H32 F2 N2 O4 S2
• SMILES: S(=O)(=O)(N(/C=C1/CC(=C)C1N(S(=O)(=O)c1ccc(cc1)C)Cc1ccc(F)cc1)Cc1ccc(F)cc1)c1ccc(cc1)C
• Title of publication: Formal intermolecular [2 + 2] cycloaddition reaction of alleneamides with alkenes via gold catalysis.
• Authors of publication: Li, Xiao-Xiao; Zhu, Li-Li; Zhou, Wen; Chen, Zili
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 436 - 439
• a: 8.4193 ± 0.0013 Å
• b: 9.0149 ± 0.0012 Å
• c: 23.033 ± 0.003 Å
• α: 91.14 ± 0.004°
• β: 99.797 ± 0.004°
• γ: 117.495 ± 0.006°
• Cell volume: 1518.4 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No