Crystallography Open Database

Information card for entry 7107696

Preview

Coordinates	7107696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H20 Br2
Calculated formula	C34 H20 Br2
SMILES	Brc1ccc(c2c3c(c(cc2c2ccccc2)c2ccc(Br)cc2)c2cccc4cccc3c24)cc1
Title of publication	luoranthene based fluorescent chemosensors for detection of explosive nitroaromatics
Authors of publication	N. Venkatramaiah; Shiv Kumar; Satish Patil
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	5007
a	10.3812 ± 0.0007 Å
b	10.9799 ± 0.0008 Å
c	12.2684 ± 0.0009 Å
α	115.624 ± 0.007°
β	97.025 ± 0.006°
γ	94.82 ± 0.006°
Cell volume	1236.68 ± 0.17 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.1629
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7107696.html