Crystallography Open Database

Information card for entry 7134206

Preview

Coordinates	7134206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H11 F3 N2
Calculated formula	C14 H11 F3 N2
Title of publication	A radical approach towards polarity-reversed <i>para</i>-substitution of electron-deficient arenes.
Authors of publication	Singh, Shashank; Kundu, Arindam; Empel, Claire; Koenigs, René Michael; Singh, Ravi P.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	19
Pages of publication	3888 - 3891
a	7.639 ± 0.017 Å
b	21.17 ± 0.03 Å
c	8.402 ± 0.014 Å
α	90°
β	99.33 ± 0.04°
γ	90°
Cell volume	1341 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1673
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1602
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298028 (current)	2025-03-04	cif/ Updating files of 7134206, 7134207 Original log message: Adding full bibliography for 7134206--7134207.cif.	7134206.cif
297549	2025-02-01	cif/ Adding structures of 7134206, 7134207 via cif-deposit CGI script.	7134206.cif