Crystallography Open Database

Information card for entry 7249389

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Coordinates	7249389.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
294911 (current)	2024-09-27	cif/ Adding structures of 7249389 via cif-deposit CGI script.	7249389.cif