Crystallography Open Database

Information card for entry 4031990

4031989 << 4031990 >> 4031991

Preview

Coordinates	4031990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H19 B F4 N4 O2 Pd
Calculated formula	C14 H19 B F4 N4 O2 Pd
Title of publication	Cationic Pd(II)-catalyzed C-H activation/cross-coupling reactions at room temperature: synthetic and mechanistic studies.
Authors of publication	Nishikata, Takashi; Abela, Alexander R.; Huang, Shenlin; Lipshutz, Bruce H.
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2016
Journal volume	12
Pages of publication	1040 - 1064
a	25.328 ± 0.005 Å
b	6.6951 ± 0.0013 Å
c	10.795 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1830.5 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.345
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185005 (current)	2016-08-05	cif/ Updating files of 4031990 Original log message: Adding full bibliography for 4031990.cif.	4031990.cif
183052	2016-05-21	cif/ Adding structures of 4031990 via cif-deposit CGI script.	4031990.cif