Information card for entry 7134826

Structure parameters

• Formula: C21 H18 Cl N O3
• Calculated formula: C21 H18 Cl N O3
• Title of publication: Pd-catalyzed asymmetric (6+2) dipolar cyclization for medium-sized spirooxindoles.
• Authors of publication: Xiao, Yu-Qing; Li, Zi-Qing; Hu, Fang; Li, Tian-Yu; Zhou, Zheng-Xin; Zhang, Zhihan; Tan, Ying; Xiao, Wen-Jing; Gavrilov, Konstantin Nikolaevich; Lu, Liang-Qiu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 64
• Pages of publication: 12030 - 12033
• a: 5.905 ± 0.0006 Å
• b: 10.3232 ± 0.0011 Å
• c: 14.2771 ± 0.0016 Å
• α: 90°
• β: 96.286 ± 0.002°
• γ: 90°
• Cell volume: 865.08 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: Synchrotron
• Diffraction radiation X-ray symbol: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No