Information card for entry 7133436

Structure parameters

• Chemical name: SMT-366
• Formula: C21 H17 N O4
• Calculated formula: C21 H17 N O4
• Title of publication: Transition-metal free, radical oxidation of 1,6-enyne cyclopropanation: synthesis of aza-bicyclo[4.1.0]heptane derivatives.
• Authors of publication: Meena, Shivam A.; Thakur, Deepika; Nandy, Abhijit; Ranjan, Rahul; Rai, Anubhav; Banerjee, Shibdas; Verma, Akhilesh K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 69
• Pages of publication: 9230 - 9233
• a: 14.2969 ± 0.0017 Å
• b: 6.8015 ± 0.0006 Å
• c: 18.834 ± 0.002 Å
• α: 90°
• β: 112.036 ± 0.014°
• γ: 90°
• Cell volume: 1697.6 ± 0.4 ų
• Cell temperature: 224 ± 40 K
• Ambient diffraction temperature: 224 ± 40 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No