Crystallography Open Database

Information card for entry 7160381

Preview

Coordinates	7160381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H31 N5 O7
Calculated formula	C37 H31 N5 O7
Title of publication	Diastereoselective three-component 1,3-dipolar cycloaddition: concise synthesis of functionalized tetrahydrocarboline-fused spirooxindoles.
Authors of publication	Wang, Yongchao; Zheng, Lihua; Zi, Rongmei; Niu, Yanqin; Yang, Shuyuan; Hu, Donghua; Dong, Jianwei
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	12
Pages of publication	2941 - 2953
a	11.197 ± 0.0007 Å
b	11.5741 ± 0.0007 Å
c	13.872 ± 0.0008 Å
α	71.41 ± 0.006°
β	81.66 ± 0.005°
γ	72.117 ± 0.006°
Cell volume	1619.4 ± 0.19 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1752
Weighted residual factors for all reflections included in the refinement	0.1839
Goodness-of-fit parameter for all reflections included in the refinement	1.0427
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299142 (current)	2025-04-05	cif/ Updating files of 7160381 Original log message: Adding full bibliography for 7160381.cif.	7160381.cif
297759	2025-02-16	cif/ Adding structures of 7160381 via cif-deposit CGI script.	7160381.cif