Crystallography Open Database

Information card for entry 1553534

Preview

Coordinates	1553534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 N
Calculated formula	C24 H19 N
SMILES	n1c2c(c(c3c1c1c(c4ccccc34)cccc1)C)cccc2CC
Title of publication	Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling
Authors of publication	Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua
Journal of publication	Organic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	12
Pages of publication	1668
a	11.335 ± 0.002 Å
b	7.4991 ± 0.0015 Å
c	37.869 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	3219 ± 1.1 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	3
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	0.0799
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.1441
Goodness-of-fit parameter for all reflections included in the refinement	1.172
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
235107 (current)	2019-11-23	cif/ Adding structures of 1553533, 1553534, 1553535, 1553536, 1553537, 1553538, 1553539 via cif-deposit CGI script.	1553534.cif