Crystallography Open Database

Information card for entry 7054767

Preview

Coordinates	7054767.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	51352
Formula	C26 H18 Br2 Cl N5 O
Calculated formula	C26 H18 Br2 Cl N5 O
Title of publication	Design, synthesis and characterization of indole based anion sensing receptors
Authors of publication	Manivannan, Ramalingam; Satheshkumar, Angupillai; El-Mossalamy, El-Sayed H.; Al-Harbi, Laila M.; Kosa, Samia A.; Elango, Kuppanagounder P.
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	5
Pages of publication	3936
a	10.5072 ± 0.0008 Å
b	21.5995 ± 0.0009 Å
c	11.2524 ± 0.0005 Å
α	90°
β	90.578 ± 0.004°
γ	90°
Cell volume	2553.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1388
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1855
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180101 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/47.	7054767.cif
138811	2015-06-07	cif/ Updating files of 7054767 Original log message: Adding full bibliography for 7054767.cif.	7054767.cif
134135	2015-03-19	cif/ Adding structures of 7054767 via cif-deposit CGI script.	7054767.cif