Crystallography Open Database

Information card for entry 7134484

Preview

Coordinates	7134484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H28 N2 O5 S
Calculated formula	C35 H28 N2 O5 S
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	9.0966 ± 0.0003 Å
b	12.2949 ± 0.0005 Å
c	14.6504 ± 0.0005 Å
α	104.644 ± 0.002°
β	102.93 ± 0.001°
γ	111.566 ± 0.001°
Cell volume	1379.99 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
300461 (current)	2025-07-06	cif/ Updating files of 7134484, 7134485 Original log message: Adding full bibliography for 7134484--7134485.cif.	7134484.cif
299472	2025-05-02	cif/ Adding structures of 7134484, 7134485 via cif-deposit CGI script.	7134484.cif