Crystallography Open Database

Information card for entry 7063688

Preview

Coordinates	7063688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H18 O Se
Calculated formula	C26 H18 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	26.615 ± 0.003 Å
b	9.7502 ± 0.001 Å
c	35.915 ± 0.006 Å
α	90°
β	112.221 ± 0.016°
γ	90°
Cell volume	8628 ± 2 Å³
Cell temperature	219.99 ± 0.1 K
Ambient diffraction temperature	219.99 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1488
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1417
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7063688.cif
298342	2025-03-08	cif/ Adding structures of 7063687, 7063688 via cif-deposit CGI script.	7063688.cif