Information card for entry 7160181

Structure parameters

• Formula: C36 H28 N2 O
• Calculated formula: C36 H28 N2 O
• Title of publication: Asymmetric [3 + 3] cycloaddition of cinnamaldehyde-derived <i>N</i>-aryl nitrones with 2-indolemethanols enabled by chiral phosphoric acid.
• Authors of publication: Zou, Ning; Wu, Yu-Zheng; Shang, Zi-Wei; Cao, Yu-Wei; Liao, Li-Min; Wei, Cui; Mo, Dong-Liang; Zhou, Wen-Jun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 46
• Pages of publication: 9047 - 9052
• a: 10.2072 ± 0.0006 Å
• b: 10.9695 ± 0.0005 Å
• c: 13.5745 ± 0.0006 Å
• α: 69.772 ± 0.004°
• β: 69.194 ± 0.005°
• γ: 76.134 ± 0.004°
• Cell volume: 1321.28 ± 0.13 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: 0.0424
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No