Information card for entry 1508847

Structure parameters

• Formula: C18 H23 N O3
• Calculated formula: C18 H23 N O3
• SMILES: O=C1N(c2c(C\1=C/C(C)(C)C)cccc2)C(=O)OC(C)(C)C
• Title of publication: Asymmetric catalytic 1,3-dipolar cycloaddition reaction of nitrile imines for the synthesis of chiral spiro-pyrazoline-oxindoles.
• Authors of publication: Wang, Gang; Liu, Xiaohua; Huang, Tianyu; Kuang, Yulong; Lin, Lili; Feng, Xiaoming
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 76 - 79
• a: 6.7576 ± 0.0003 Å
• b: 9.8259 ± 0.0006 Å
• c: 13.085 ± 0.0011 Å
• α: 92.213 ± 0.006°
• β: 97.254 ± 0.005°
• γ: 92.098 ± 0.005°
• Cell volume: 860.49 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0669
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No