Crystallography Open Database

Information card for entry 1571583

Preview

Coordinates	1571583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 Br F3 O
Calculated formula	C16 H10 Br F3 O
Title of publication	Visible light-driven dearomative ring expansion of (aza)arenes to access dihydrofuran-based polycyclic compounds.
Authors of publication	Zhang, Linghong; You, Mengdi; Ban, Xu; Zhao, Xiaowei; Yin, Yanli; Cao, Shanshan; Jiang, Zhiyong
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	23
Pages of publication	8828 - 8834
a	16.291 ± 0.002 Å
b	6.2878 ± 0.0006 Å
c	15.4937 ± 0.0018 Å
α	90°
β	116.475 ± 0.015°
γ	90°
Cell volume	1420.7 ± 0.3 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	0.0775
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1486
Weighted residual factors for all reflections included in the refinement	0.1743
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
292927 (current)	2024-07-05	cif/ Updating files of 1571583, 1571584, 1571585 Original log message: Adding full bibliography for 1571583--1571585.cif.	1571583.cif
291759	2024-05-08	cif/ Adding structures of 1571583, 1571584, 1571585 via cif-deposit CGI script.	1571583.cif