Information card for entry 7135433

Structure parameters

• Formula: C27 H27 N O2 Se
• Calculated formula: C27 H27 N O2 Se
• Title of publication: Regioselective electrochemical 7-<i>endo-dig</i> selenocyclization of <i>N</i>-benzyl propiolamides to access selenated benzo[<i>c</i>]azepinones.
• Authors of publication: Luo, Xian-Bing; Wu, Xia-Die; Wang, Lei; Li, Zhifang; Hou, Zhong-Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 14
• Pages of publication: 4346 - 4349
• a: 24.2397 ± 0.0004 Å
• b: 6.654 ± 0.0001 Å
• c: 30.0658 ± 0.0004 Å
• α: 90°
• β: 100.312 ± 0.001°
• γ: 90°
• Cell volume: 4771.01 ± 0.12 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0429
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No