Crystallography Open Database

Information card for entry 7250441

Preview

Coordinates	7250441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 O3
Calculated formula	C18 H16 O3
Title of publication	B(C6F5)3-catalysed cyclic carbonate editing
Authors of publication	He, Yicheng; Unnikrishnan, Krishnapriya Anattil; Yin, Wenhao; Kuniyil, Rositha; Du, Haifeng; Guo, Wusheng
Journal of publication	Green Chemistry
Year of publication	2025
Journal volume	27
Journal issue	23
Pages of publication	6741 - 6746
a	8.9241 ± 0.0002 Å
b	9.106 ± 0.0002 Å
c	10.2978 ± 0.0002 Å
α	70.545 ± 0.002°
β	74.245 ± 0.002°
γ	74.481 ± 0.002°
Cell volume	744.8 ± 0.03 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0416
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
301018 (current)	2025-07-06	cif/ Updating files of 7250441 Original log message: Adding full bibliography for 7250441.cif.	7250441.cif
299801	2025-05-24	cif/ Adding structures of 7250441 via cif-deposit CGI script.	7250441.cif