Information card for entry 7134223

Structure parameters

• Formula: C25 H25 N O2
• Calculated formula: C25 H25 N O2
• Title of publication: Diastereoselective synthesis of benzazocines by Zn(OTf)₂-catalyzed (4+4) cyclocondensation of multisubstituted donor-acceptor cyclopropanes with anthranils.
• Authors of publication: Huang, Xuelian; Yang, Gaosheng; Chai, Zhuo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 18
• Pages of publication: 3704 - 3707
• a: 11.3577 ± 0.0014 Å
• b: 12.6655 ± 0.0016 Å
• c: 27.035 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3889 ± 0.8 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No