Crystallography Open Database

Information card for entry 8107564

Preview

Coordinates	8107564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 O3
Calculated formula	C18 H14 O3
Title of publication	Synthesis and crystal structure of 2-(2-oxo-2-(o-tolyl)ethyl)-4H-chromen-4-one, C18H14O3
Authors of publication	Liu, Yi; Zhao, Zhimeng; Zhang, Yuming; Liu, Feng; Chen, Yang; Xiao, Tao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	4
Pages of publication	795 - 796
a	7.7539 ± 0.0001 Å
b	8.2606 ± 0.0001 Å
c	11.6271 ± 0.0002 Å
α	86.877 ± 0.001°
β	78.944 ± 0.001°
γ	68.908 ± 0.001°
Cell volume	681.861 ± 0.018 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1586
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8107564.html