Crystallography Open Database

Information card for entry 7121952

7121951 << 7121952 >> 7121953

Preview

Coordinates	7121952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 F3 N O
Calculated formula	C11 H10 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	21.421 ± 0.006 Å
b	8.828 ± 0.002 Å
c	11.037 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2087.1 ± 0.9 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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.	7121952.cif
209004	2018-07-13	cif/ Adding structures of 7121950, 7121951, 7121952, 7121953, 7121954 via cif-deposit CGI script.	7121952.cif