Information card for entry 7135432

Structure parameters

• Formula: C35 H23 N O Se
• Calculated formula: C35 H23 N O 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: 19.5813 ± 0.0004 Å
• b: 8.5064 ± 0.0002 Å
• c: 32.0053 ± 0.0006 Å
• α: 90°
• β: 98.372 ± 0.002°
• γ: 90°
• Cell volume: 5274.2 ± 0.19 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 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: 0.0467
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No