Information card for entry 7134225

Structure parameters

• Formula: C27 H27 N O3
• Calculated formula: C27 H27 N O3
• 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: 10.0943 ± 0.0006 Å
• b: 12.4294 ± 0.0008 Å
• c: 18.1764 ± 0.0013 Å
• α: 85.359 ± 0.002°
• β: 80.756 ± 0.002°
• γ: 85.323 ± 0.002°
• Cell volume: 2238.1 ± 0.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.0887
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No