Information card for entry 7134226

Structure parameters

• Formula: C1.697 H1.515 N0.061 O0.242
• Calculated formula: C1.69697 H1.51515 N0.0606061 O0.242424
• 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: 9.838 ± 0.004 Å
• b: 11.101 ± 0.004 Å
• c: 11.425 ± 0.004 Å
• α: 97.664 ± 0.005°
• β: 97.936 ± 0.005°
• γ: 110.262 ± 0.004°
• Cell volume: 1137.1 ± 0.7 ų
• Cell temperature: 293.15 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: 0.0928
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0833
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No