Crystallography Open Database

Information card for entry 7063687

Preview

Coordinates	7063687.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 O Se
Calculated formula	C27 H20 O Se
Title of publication	Divergent synthesis of selenide-containing spirocarbocycles and phenanthrenes through Cu(OTf)2-promoted selenylation of alkyne-containing phenol-based biaryls
Authors of publication	Guo, Le; Liu, Anjia; Qi, Hongbo; Gu, Lei; Yuan, Xingyu; Chi, Dongmei; Chen, Shufeng
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	14
Pages of publication	5989 - 5994
a	10.2238 ± 0.0003 Å
b	10.1572 ± 0.0003 Å
c	21.0271 ± 0.0008 Å
α	90°
β	104.016 ± 0.004°
γ	90°
Cell volume	2118.55 ± 0.13 Å³
Cell temperature	249.99 ± 0.1 K
Ambient diffraction temperature	249.99 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
299030 (current)	2025-04-05	cif/ Updating files of 7063687, 7063688 Original log message: Adding full bibliography for 7063687--7063688.cif.	7063687.cif
298342	2025-03-08	cif/ Adding structures of 7063687, 7063688 via cif-deposit CGI script.	7063687.cif