Crystallography Open Database

Information card for entry 7121951

7121950 << 7121951 >> 7121952

Preview

Coordinates	7121951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 F3 N O
Calculated formula	C10 H8 F3 N O
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	5.6878 ± 0.0014 Å
b	20.542 ± 0.005 Å
c	8.921 ± 0.002 Å
α	90°
β	107.525 ± 0.006°
γ	90°
Cell volume	993.9 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
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	0.0606
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.117
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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.	7121951.cif
209004	2018-07-13	cif/ Adding structures of 7121950, 7121951, 7121952, 7121953, 7121954 via cif-deposit CGI script.	7121951.cif