Crystallography Open Database

Information card for entry 7246138

Preview

Coordinates	7246138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 F5 O4
Calculated formula	C24 H21 F5 O4
SMILES	Fc1c(F)c(F)c(C(c2c(OC)cc(OC)cc2OC)c2cc(C)c(O)c(c2)C)c(F)c1F
Title of publication	Hydrogen bonding network-enabled Brønsted acid-catalyzed Friedel–Crafts reactions: a green approach to access unsymmetrical diaryl- and triarylmethanes
Authors of publication	Singh, Sanjay; Mondal, Sankalan; Vodnala, Nagaraju; Hazra, Chinmoy Kumar
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	3
Pages of publication	1014 - 1022
a	8.3761 ± 0.0005 Å
b	8.4007 ± 0.0005 Å
c	16.0336 ± 0.0009 Å
α	98.767 ± 0.002°
β	99.704 ± 0.002°
γ	91.221 ± 0.002°
Cell volume	1097.79 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1089
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1445
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
281485 (current)	2023-03-04	cif/ Updating files of 7246138, 7246139 Original log message: Adding full bibliography for 7246138--7246139.cif.	7246138.cif
280356	2023-01-17	cif/ Adding structures of 7246138, 7246139 via cif-deposit CGI script.	7246138.cif