Crystallography Open Database

Information card for entry 7160357

Preview

Coordinates	7160357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 Cl N2 O4
Calculated formula	C24 H21 Cl N2 O4
Title of publication	Concise asymmetric synthesis of (-)-Bao Gong Teng A <i>via</i> Evans chiral auxiliary-based 1,3-dipolar cycloaddition.
Authors of publication	Zhao, Yi-Wen; Wang, Jun-Fei; Xu, Jianrong; Chen, Hongzhuan; Tan, Yun-Xuan; Tian, Ping
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	10
Pages of publication	2370 - 2374
a	12.5837 ± 0.0003 Å
b	6.1999 ± 0.0002 Å
c	13.8988 ± 0.0003 Å
α	90°
β	96.444 ± 0.001°
γ	90°
Cell volume	1077.5 ± 0.05 Å³
Cell temperature	306 ± 2 K
Ambient diffraction temperature	306 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0902
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299056 (current)	2025-04-05	cif/ Updating files of 7160357, 7160358, 7160359 Original log message: Adding full bibliography for 7160357--7160359.cif.	7160357.cif
297584	2025-02-04	cif/ Adding structures of 7160357, 7160358, 7160359 via cif-deposit CGI script.	7160357.cif