Crystallography Open Database

Information card for entry 7226219

Preview

Coordinates	7226219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H9 B Br2 F2 N2 O
Calculated formula	C15 H9 B Br2 F2 N2 O
SMILES	c1ccc2C(=c3ccc[n]3[B](n12)(F)F)c1cc(c(c(c1)Br)O)Br
Title of publication	Synthesis, structure, photophysical, electrochemical properties and antibacterial activity of brominated BODIPYs
Authors of publication	Prasannan, Dijo; Raghav, Darpan; Subramaniam, Sujatha; Hareendrakrishna kumar, Haritha; K, Rathinasamy; Arunkumar, Chellaiah
Journal of publication	RSC Adv.
Year of publication	2016
a	11.5754 ± 0.0008 Å
b	15.3509 ± 0.0011 Å
c	9.375 ± 0.0005 Å
α	90°
β	112.989 ± 0.002°
γ	90°
Cell volume	1533.57 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
185749 (current)	2016-08-11	cif/ Adding structures of 7226218, 7226219, 7226220, 7226221, 7226222 via cif-deposit CGI script.	7226219.cif