Information card for entry 7128675

Structure parameters

• Formula: C23 H20 N2 O2
• Calculated formula: C23 H20 N2 O2
• SMILES: O=C1N[C@H](c2c([C@@H]1c1c(C(=O)Nc3ccccc3)cccc1)cccc2)C.O=C1N[C@@H](c2c([C@H]1c1c(C(=O)Nc3ccccc3)cccc1)cccc2)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: 8.5174 ± 0.0004 Å
• b: 10.7513 ± 0.0005 Å
• c: 10.7978 ± 0.0006 Å
• α: 90.516 ± 0.004°
• β: 103.384 ± 0.004°
• γ: 98.725 ± 0.004°
• Cell volume: 949.8 ± 0.08 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: 0.0646
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No