Crystallography Open Database

Information card for entry 7128522

Preview

Coordinates	7128522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 Cl F O2
Calculated formula	C10 H10 Cl F O2
Title of publication	Rh-catalyzed tunable defluorinative borylation.
Authors of publication	Hao, Fei; Shang, Xueyun; Liu, Zhenwei; Zhang, He; Lin, Jin-Hong; Xiao, Ji-Chang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	58
Pages of publication	7124 - 7127
a	11.0279 ± 0.0012 Å
b	7.6848 ± 0.0009 Å
c	24.244 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2054.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0905
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.2336
Weighted residual factors for all reflections included in the refinement	0.2415
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
268514 (current)	2021-09-06	cif/ Updating files of 7128522 Original log message: Adding full bibliography for 7128522.cif.	7128522.cif
266574	2021-06-19	cif/ Adding structures of 7128522 via cif-deposit CGI script.	7128522.cif