Information card for entry 7128676

Structure parameters

• Formula: C18 H15 N O3
• Calculated formula: C18 H16 N O3
• SMILES: OC1(N=C(c2ccccc12)c1c(cccc1)C(=O)OC=C)C
• Title of publication: Rhodium(iii)-catalyzed asymmetric [4+1] spiroannulations of O-pivaloyl oximes with α-diazo compounds.
• Authors of publication: Sun, Lincong; Liu, Bingxian; Zhao, Yanlian; Chang, Junbiao; Kong, Lingheng; Wang, Fen; Deng, Wei-Qiao; Li, Xingwei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 67
• Pages of publication: 8268 - 8271
• a: 7.461 ± 0.0005 Å
• b: 10.276 ± 0.0005 Å
• c: 11.7263 ± 0.0008 Å
• α: 70.212 ± 0.005°
• β: 73.352 ± 0.006°
• γ: 70.063 ± 0.005°
• Cell volume: 780.25 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No