Crystallography Open Database

Information card for entry 7127769

Preview

Coordinates	7127769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H142 B2 F4 N4
Calculated formula	C136 H142 B2 F4 N4
Title of publication	Highly regioselective palladium-catalyzed domino reaction for post-functionalization of BODIPY.
Authors of publication	Wang, Sisi; Wang, Zhaoli; Gao, Hu; Jiang, Liang; Liu, Hui; Wu, Fan; Zhao, Yue; Chan, Kin Shing; Shen, Zhen
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	14
Pages of publication	1758 - 1761
a	15.7803 ± 0.0006 Å
b	16.9989 ± 0.0006 Å
c	21.4911 ± 0.0008 Å
α	90.149 ± 0.002°
β	91.366 ± 0.002°
γ	90.205 ± 0.002°
Cell volume	5763.2 ± 0.4 Å³
Cell temperature	189.99 K
Ambient diffraction temperature	189.99 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1041
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1943
Weighted residual factors for all reflections included in the refinement	0.2243
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
262494 (current)	2021-03-05	cif/ Updating files of 7127767, 7127768, 7127769 Original log message: Adding full bibliography for 7127767--7127769.cif.	7127769.cif
260498	2021-01-05	cif/ Adding structures of 7127767, 7127768, 7127769 via cif-deposit CGI script.	7127769.cif