Crystallography Open Database

Information card for entry 7220759

7220758 << 7220759 >> 7220760

Preview

Coordinates	7220759.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H17 Br Cl N2
Calculated formula	C25 H17 Br Cl N2
SMILES	Brc1ccc(/C(=C/C(c2c3c([nH]c2)cccc3)c2c3ccccc3[nH]c2)Cl)cc1
Title of publication	An efficient solvent-free synthesis of bis(indolyl)methane-based naked eye chemosensor for Cu2+ ion from β-chloro-α,β-unsaturated aldehydes using PMA-Cellulose as solid phase reusable catalyst
Authors of publication	Kundu, Arijit; Ganguly, Aniruddha; Dhara, Kaliprasanna; Patra, Prasanta; Guchhait, Nikhil
Journal of publication	RSC Adv.
Year of publication	2015
a	9.802 ± 0.003 Å
b	9.833 ± 0.003 Å
c	12.388 ± 0.004 Å
α	85.599 ± 0.015°
β	70.767 ± 0.013°
γ	67.602 ± 0.014°
Cell volume	1040.7 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0747
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220759.cif
139124	2015-06-12	cif/ Adding structures of 7220759 via cif-deposit CGI script.	7220759.cif