Information card for entry 1534108

Structure parameters

• Common name: 141208b
• Formula: C24 H21 N O4 S
• Calculated formula: C24 H21 N O4 S
• SMILES: S(=O)(=O)(N(c1oc2c(c(=O)c1C)cccc2)Cc1ccccc1)c1ccc(cc1)C
• Title of publication: Synthesis of 3-Substituted 2-Aminochromones via Sn(IV)-Promoted Annulation of Ynamides with 2-Methoxyaroyl Chlorides.
• Authors of publication: Liu, Hongxu; Yang, Yanyan; Wang, Shen; Wu, Jie; Wang, Xiao-Na; Chang, Junbiao
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 4472 - 4475
• a: 8.2556 ± 0.0017 Å
• b: 14.406 ± 0.003 Å
• c: 17.938 ± 0.004 Å
• α: 90°
• β: 93.63 ± 0.03°
• γ: 90°
• Cell volume: 2129.1 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.2494
• Weighted residual factors for all reflections included in the refinement: 0.2603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.5
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No