Crystallography Open Database

Information card for entry 4034615

Preview

Coordinates	4034615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H50 Br4 N8 O9 Pd4
Calculated formula	C65 H50 Br4 N8 O9 Pd4
Title of publication	Chemoselective Trifluoroethylation Reactions of Quinazolinones and Identification of Photostability.
Authors of publication	Maiti, Saikat; Kim, Jaeshin; Park, Jae-Heon; Nam, Dongsik; Lee, Jae Bin; Kim, Ye-Jin; Kee, Jung-Min; Seo, Jeong Kon; Myung, Kyungjae; Rohde, Jan-Uwe; Choe, Wonyoung; Kwon, Oh-Hoon; Hong, Sung You
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	11
Pages of publication	6737 - 6751
a	27.797 ± 0.003 Å
b	12.3377 ± 0.0013 Å
c	22.253 ± 0.002 Å
α	90°
β	124.115 ± 0.003°
γ	90°
Cell volume	6318.4 ± 1.1 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.061
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
223093 (current)	2019-11-04	cif/ Adding structures of 4034615 via cif-deposit CGI script.	4034615.cif