Information card for entry 1513934

Structure parameters

• Formula: C26 H18 F N O3 S
• Calculated formula: C26 H18 F N O3 S
• SMILES: S(=O)(=O)(NC(=O)C(=C\C#Cc1ccc(F)cc1)\C#Cc1ccccc1)c1ccc(cc1)C
• Title of publication: Pd-Catalyzed Branching Cyclizations of Enediyne-Imides toward Furo[2,3-b]pyridines.
• Authors of publication: Li, Zexiang; Ling, Fei; Cheng, Dong; Ma, Cheng
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 1822 - 1825
• a: 11.29 ± 0.0006 Å
• b: 15.2347 ± 0.0005 Å
• c: 13.7812 ± 0.0006 Å
• α: 90°
• β: 110.517 ± 0.005°
• γ: 90°
• Cell volume: 2220.01 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0681
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No