Crystallography Open Database

Information card for entry 7134479

Preview

Coordinates	7134479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 O2
Calculated formula	C16 H16 O2
Title of publication	Stereoselective synthesis of C-glycosides from glycals and organotrifluoroborate salts
Authors of publication	Othman, Karwan Abdulmajed; Xiang, Yimin; Wang, Yue; Huang, Nianyu; Wang, Nengzhong; Li, Linxuan; Yao, Hui
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	43
Pages of publication	7867 - 7870
a	8.6971 ± 0.0006 Å
b	5.873 ± 0.0004 Å
c	12.5155 ± 0.0009 Å
α	90°
β	94.239 ± 0.007°
γ	90°
Cell volume	637.52 ± 0.08 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.1576
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
300436 (current)	2025-07-06	cif/ Updating files of 7134479, 7134480, 7134481 Original log message: Adding full bibliography for 7134479--7134481.cif.	7134479.cif
299449	2025-04-30	cif/ Adding structures of 7134479, 7134480, 7134481 via cif-deposit CGI script.	7134479.cif