Information card for entry 7133437

Structure parameters

• Chemical name: SMT-238
• Formula: C19 H15 N O3
• Calculated formula: C19 H15 N O3
• 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: 10.275 ± 0.0005 Å
• b: 6.3644 ± 0.0003 Å
• c: 12.1715 ± 0.0006 Å
• α: 90°
• β: 112.449 ± 0.006°
• γ: 90°
• Cell volume: 735.63 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No