Crystallography Open Database

Information card for entry 7035559

Preview

Coordinates	7035559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H17 B F2 N2 O
Calculated formula	C26 H17 B F2 N2 O
SMILES	F[B]1(F)N2C(=Cc3cccc[n]13)C(=C(c1ccccc1)C2=O)c1cccc2c1cccc2
Title of publication	Maleimide fused boron-fluorine complexes: synthesis, photophysical and electrochemical properties.
Authors of publication	Thale, Pranila B.; Borase, Pravin N.; Shankarling, Ganapati S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	31
Pages of publication	13947 - 13954
a	11.0852 ± 0.0004 Å
b	12.5966 ± 0.0004 Å
c	14.335 ± 0.0005 Å
α	90°
β	98.644 ± 0.001°
γ	90°
Cell volume	1978.94 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
153182 (current)	2015-08-08	cif/ Updating files of 7035559 Original log message: Adding full bibliography for 7035559.cif.	7035559.cif
139663	2015-06-26	cif/ Adding structures of 7035559 via cif-deposit CGI script.	7035559.cif