Crystallography Open Database

Information card for entry 7134485

Preview

Coordinates	7134485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H36 N2 O5 S2
Calculated formula	C42 H36 N2 O5 S2
Title of publication	Asymmetric synthesis of quinolinone-based polycyclic indoles through [1,3]-rearrangement/cyclization reaction
Authors of publication	Xu, Fuxing; Xiong, Zongli; Qin, Wenling; Yao, Weijun; Wang, Zhen
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	46
Pages of publication	8403 - 8406
a	10.7401 ± 0.0002 Å
b	18.2838 ± 0.0003 Å
c	18.5074 ± 0.0003 Å
α	90°
β	92.761 ± 0.001°
γ	90°
Cell volume	3630.08 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
300461 (current)	2025-07-06	cif/ Updating files of 7134484, 7134485 Original log message: Adding full bibliography for 7134484--7134485.cif.	7134485.cif
299472	2025-05-02	cif/ Adding structures of 7134484, 7134485 via cif-deposit CGI script.	7134485.cif