Information card for entry 7241346

Structure parameters

• Formula: C17 H21 N O2
• Calculated formula: C17 H21 N O2
• Title of publication: Photoinduced, strain-promoted cycloadditions of trans-cycloheptenones and azides
• Authors of publication: Yang, Hongzhi; Zeng, Tianying; Xi, Shuang; Hu, Shengkun; Wu, Yunfei; Tang, Yefeng
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 20
• Pages of publication: 7023 - 7030
• a: 13.1208 ± 0.0003 Å
• b: 7.6644 ± 0.0001 Å
• c: 15.2725 ± 0.0004 Å
• α: 90°
• β: 111.229 ± 0.003°
• γ: 90°
• Cell volume: 1431.63 ± 0.06 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 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: 0.0406
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No