Information card for entry 7160737

Structure parameters

• Formula: C23 H13 Br F N S
• Calculated formula: C23 H13 Br F N S
• Title of publication: Stitching ynones with indolin-2-thiones: an eco-friendly reaction cascade towards functionalized thiopyrano[2,3-<i>b</i>]indoles and their inceptive optoelectronic profiling.
• Authors of publication: Balasubramani, Alagesan; Shivachalappa Salgar, Rupali; Lingamallu, Giribabu; Pabbaraja, Srihari; Mehta, Goverdhan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 40
• Pages of publication: 9100 - 9104
• a: 9.555 ± 0.006 Å
• b: 10.663 ± 0.006 Å
• c: 11.118 ± 0.006 Å
• α: 115.183 ± 0.008°
• β: 110.52 ± 0.01°
• γ: 95.253 ± 0.01°
• Cell volume: 920.5 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.2199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No