Crystallography Open Database

Information card for entry 7121950

7121949 << 7121950 >> 7121951

Preview

Coordinates	7121950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H3 F3 O2
Calculated formula	C4 H3 F3 O2
Title of publication	Fluorinated cyclopropanes: synthesis and chemistry of the aryl α,β,β-trifluorocyclopropane motif.
Authors of publication	Thomson, Connor J.; Zhang, Qingzhi; Al-Maharik, Nawaf; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	60
Pages of publication	8415 - 8418
a	5.165 ± 0.002 Å
b	11.201 ± 0.005 Å
c	8.564 ± 0.004 Å
α	90°
β	101.626 ± 0.012°
γ	90°
Cell volume	485.3 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
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	0.0392
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.206
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228543 (current)	2019-11-17	cif/ Updating files of 7121950, 7121951, 7121952, 7121953, 7121954 Original log message: Adding full bibliography for 7121950--7121954.cif.	7121950.cif
209004	2018-07-13	cif/ Adding structures of 7121950, 7121951, 7121952, 7121953, 7121954 via cif-deposit CGI script.	7121950.cif