Information card for entry 7135455

Structure parameters

• Formula: C20 H18 Br N O S
• Calculated formula: C20 H18 Br N O S
• Title of publication: Construction of oxindole spiro medium-sized S-heterocycles <i>via</i> ring expansion [2,3]-sigmatropic rearrangement.
• Authors of publication: Xu, Yongqiang; Li, Wenkai; Gu, Xiaoli; Zhou, Yuhan; Qu, Jingping; Wang, Baomin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 15
• Pages of publication: 4545 - 4548
• a: 7.0549 ± 0.0011 Å
• b: 15.033 ± 0.003 Å
• c: 17.847 ± 0.004 Å
• α: 65.113 ± 0.006°
• β: 87.985 ± 0.005°
• γ: 89.238 ± 0.006°
• Cell volume: 1716 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.1049
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No