Crystallography Open Database

Information card for entry 2023400

2023399 << 2023400 >> 2023401

Preview

Coordinates	2023400.cif
Original IUCr paper	HTML

Structure parameters

Common name	4'-(Benzyloxy)-[1,1'-biphenyl]-3-carboxylic acid
Chemical name	3-[4-(Benzyloxy)phenyl]benzoic acid
Formula	C20 H16 O3
Calculated formula	C20 H16 O3
Title of publication	Crystal structure, Hirshfeld surface analysis, DFT and mol-ecular docking studies of 4'-(benz-yloxy)-[1,1'-biphen-yl]-3-carb-oxy-lic acid.
Authors of publication	Kumar, M. Harish; Vinduvahini, M.; Srinivasa, H. T.; Devarajegowda, H. C.; Palakshamurthy, B. S.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 3
Pages of publication	208 - 213
a	31.9237 ± 0.0013 Å
b	7.0199 ± 0.0003 Å
c	6.9184 ± 0.0003 Å
α	90°
β	91.864 ± 0.001°
γ	90°
Cell volume	1549.6 ± 0.11 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	3
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1527
Weighted residual factors for all reflections included in the refinement	0.162
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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
299187 (current)	2025-04-05	cif/ Updating files of 2023400 Original log message: Adding full bibliography for 2023400.cif.	2023400.cif
297700	2025-02-12	cif/ Adding structures of 2023400 via cif-deposit CGI script.	2023400.cif