Information card for entry 1507883

Structure parameters

• Formula: C23 H17 N3 O3 S2
• Calculated formula: C23 H17 N3 O3 S2
• SMILES: S1C2N3CC(=O)NC3=C(C#N)C(C=2C(=O)c2c1cc(SC)cc2)c1ccc(OC)cc1
• Title of publication: One-pot multicomponent cascade reaction of N,S-ketene acetal: solvent-free synthesis of imidazo[1,2-a]thiochromeno[3,2-e]pyridines.
• Authors of publication: Li, Ming; Cao, Han; Wang, Yong; Lv, Xiu-Liang; Wen, Li-Rong
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 3470 - 3473
• a: 10.776 ± 0.002 Å
• b: 10.992 ± 0.002 Å
• c: 11.889 ± 0.002 Å
• α: 72.81 ± 0.03°
• β: 70.62 ± 0.03°
• γ: 67.65 ± 0.03°
• Cell volume: 1205.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No