Information card for entry 7156596

Structure parameters

• Formula: C2.53 H2.27 N0.13 O0.13
• Calculated formula: C2.53333 H2.26667 N0.133333 O0.133333
• Title of publication: Palladium-catalysed ring-opening [3 + 2]-annulation of spirovinylcyclopropyl oxindole to diastereoselectively access spirooxindoles.
• Authors of publication: Xiao, Jun-An; Cheng, Xiu-Liang; Li, Yu-Chun; He, Yi-Miao; Li, Jin-Lian; Liu, Zhi-Ping; Xia, Peng-Ju; Su, Wei; Yang, Hua
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 103 - 107
• a: 16.7527 ± 0.0011 Å
• b: 9.2802 ± 0.0006 Å
• c: 19.428 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3020.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No