Information card for entry 1545457

Structure parameters

• Formula: C23 H16 Cl F N2 O4 S
• Calculated formula: C23 H16 Cl F N2 O4 S
• SMILES: S(=O)(=O)(N1c2ccc(Cl)cc2C(=O)[C@]21c1cc(F)ccc1N(C2=O)C)c1ccc(cc1)C
• Title of publication: PhI(OCOCF3)2-Mediated Construction of a 2-Spiropseudoindoxyl Skeleton via Cascade Annulation of 2-Sulfonamido-N-phenylpropiolamide Derivatives.
• Authors of publication: Zhang, Bobo; Zhang, Xiang; Hu, Bei; Sun, Desong; Wang, Senlin; Zhang-Negrerie, Daisy; Du, Yunfei
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 4
• Pages of publication: 902 - 905
• a: 9.0392 ± 0.0006 Å
• b: 14.708 ± 0.0009 Å
• c: 15.6959 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2086.7 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No