Information card for entry 7249389

Structure parameters

• Formula: C23 H24 N2 O
• Calculated formula: C23 H24 N2 O
• Title of publication: Anti-Schistosomal Activity and ADMET Properties of 1,2,5-Oxadiazinane-Containing Compound Synthesized by Visible-Light Photoredox Catalysis
• Authors of publication: Itoh, Kennosuke; Nakahara, Hiroki; Takashino, Atsushi; Hara, Aya; Katsuno, Akiho; Abe, Yuriko; Mizuguchi, Takaaki; Karaki, Fumika; Hirayama, Shigeto; Nagai, Kenichiro; Seki, Reiko; Sato, Noriko; Okuyama, Kazuki; Hashimoto, Masashi; Tokunaga, Ken; Ishida, Hitoshi; Mikami, Fusako; Kwofie, Kofi Dadzie; Kawada, Hayato; Lin, Bangzhong; NUNOMURA, Kazuto; Kanai, Toshio; Hatta, Takeshi; Tsuji, Naotoshi; Haruta, Junichi; Fujii, Hideaki
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2024
• a: 21.631 ± 0.0004 Å
• b: 5.52013 ± 0.0001 Å
• c: 30.7878 ± 0.0006 Å
• α: 90°
• β: 90.895 ± 0.006°
• γ: 90°
• Cell volume: 3675.8 ± 0.12 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No