Crystallography Open Database

Information card for entry 7160402

Preview

Coordinates	7160402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 Br F3 N O8
Calculated formula	C24 H23 Br F3 N O8
Title of publication	Pd-catalyzed asymmetric etherification of 2<i>H</i>-chromenes: enantioselective construction of chiral 4-alkoxy-4<i>H</i>-chromenes.
Authors of publication	Wang, Bangzhong; Sun, Luyang; Zhang, Pengyue; Zhang, Shuaibo; Zhao, Jinfeng; Qu, Jingping; Zhou, Yuhan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	14
Pages of publication	3431 - 3436
a	11.7404 ± 0.0011 Å
b	8.3449 ± 0.0008 Å
c	13.0752 ± 0.0012 Å
α	90°
β	94.168 ± 0.003°
γ	90°
Cell volume	1277.6 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0788
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
299052 (current)	2025-04-05	cif/ Updating files of 7160402 Original log message: Adding full bibliography for 7160402.cif.	7160402.cif
298316	2025-03-07	cif/ Adding structures of 7160402 via cif-deposit CGI script.	7160402.cif