Information card for entry 7238575

Structure parameters

• Formula: C13.33 H7.33 Cl0.67 O2 S0
• Calculated formula: C13.3333 H7.33333 Cl0.666667 O2
• Title of publication: InCl3 catalyzed domino route to 2H-chromene-2-ones via [4 + 2] annulation of 2-hydroxyarylaldehydes with α-oxoketene dithioacetal under solvent-free conditions
• Authors of publication: Verma, Rajiv Kumar; Verma, Girijesh Kumar; Shukla, Gaurav; Singh, Maya Shankar
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 2413
• a: 7.3853 ± 0.0005 Å
• b: 9.6126 ± 0.0007 Å
• c: 10.888 ± 0.0007 Å
• α: 84.694 ± 0.006°
• β: 87.875 ± 0.005°
• γ: 84.71 ± 0.006°
• Cell volume: 766.05 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1038
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No