Crystallography Open Database

Information card for entry 7246139

Preview

Coordinates	7246139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 O4
Calculated formula	C18 H22 O4
SMILES	O(C)c1cc(OC)c(c(OC)c1)Cc1cc(C)c(O)c(C)c1
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	7.0243 ± 0.0006 Å
b	20.574 ± 0.0016 Å
c	11.0931 ± 0.0009 Å
α	90°
β	91.591 ± 0.004°
γ	90°
Cell volume	1602.5 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1244
Goodness-of-fit parameter for all reflections included in the refinement	1.0649
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.	7246139.cif
280356	2023-01-17	cif/ Adding structures of 7246138, 7246139 via cif-deposit CGI script.	7246139.cif