Crystallography Open Database

Information card for entry 7134826

Preview

Coordinates	7134826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Cl N O3
Calculated formula	C21 H18 Cl N O3
Title of publication	Pd-catalyzed asymmetric (6+2) dipolar cyclization for medium-sized spirooxindoles.
Authors of publication	Xiao, Yu-Qing; Li, Zi-Qing; Hu, Fang; Li, Tian-Yu; Zhou, Zheng-Xin; Zhang, Zhihan; Tan, Ying; Xiao, Wen-Jing; Gavrilov, Konstantin Nikolaevich; Lu, Liang-Qiu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	64
Pages of publication	12030 - 12033
a	5.905 ± 0.0006 Å
b	10.3232 ± 0.0011 Å
c	14.2771 ± 0.0016 Å
α	90°
β	96.286 ± 0.002°
γ	90°
Cell volume	865.08 ± 0.16 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0439
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1244
Goodness-of-fit parameter for all reflections included in the refinement	1.194
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	Synchrotron
Diffraction radiation X-ray symbol	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
302440 (current)	2025-10-06	cif/ Updating files of 7134826, 7134827, 7134828 Original log message: Adding full bibliography for 7134826--7134828.cif.	7134826.cif
301235	2025-07-12	cif/ Adding structures of 7134826, 7134827, 7134828 via cif-deposit CGI script.	7134826.cif