Information card for entry 7131077

Structure parameters

• Formula: C27 H28 N2 O3 S
• Calculated formula: C27 H28 N2 O3 S
• Title of publication: Stereoselective synthesis of 1,6-diazecanes by a tandem aza-Prins type dimerization and cyclization process.
• Authors of publication: Kim, Gyeong Un; Cho, Hyunmi; Lee, Jae Kyun; Lee, Jae Yeol; Tae, Jinsung; Min, Sun-Joon; Kang, Taek; Cho, Yong Seo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 82 - 85
• a: 18.6366 ± 0.0008 Å
• b: 12.5881 ± 0.0008 Å
• c: 10.2431 ± 0.0005 Å
• α: 90°
• β: 94.9576 ± 0.0012°
• γ: 90°
• Cell volume: 2394 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No