Crystallography Open Database

Information card for entry 7134265

Preview

Coordinates	7134265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 Cl2 O4
Calculated formula	C36 H32 Cl2 O4
Title of publication	Visible-light-induced synthesis of bibenzofuranones <i>via</i> a cerium-mediated energy transfer process.
Authors of publication	Lv, Jiaoyue; Lang, Yatao; Li, Chao-Jun; Zeng, Huiying
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	20
Pages of publication	4054 - 4057
a	12.1015 ± 0.0002 Å
b	12.1074 ± 0.0002 Å
c	12.1083 ± 0.0002 Å
α	79.338 ± 0.001°
β	64.387 ± 0.002°
γ	79.372 ± 0.001°
Cell volume	1561.17 ± 0.05 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 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	0.0547
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
298775 (current)	2025-04-05	cif/ Updating files of 7134265 Original log message: Adding full bibliography for 7134265.cif.	7134265.cif
297762	2025-02-20	cif/ Adding structures of 7134265 via cif-deposit CGI script.	7134265.cif