Crystallography Open Database

Information card for entry 7243344

Preview

Coordinates	7243344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H47 Cl3 N4 O10
Calculated formula	C46 H47 Cl3 N4 O10
SMILES	ClC(Cl)Cl.O1c2c3cccc2Cc2cccc(c2O)Cc2cccc(c2OCC(=O)NCCN(CCNC(=O)C1)CC(=O)NCc1ccccc1)Cc1cccc(c1O)C3.O.O.O
Title of publication	Calix[4]amido crown functionalized visible sensors for cyanide and iodide anions
Authors of publication	Sharma, Pragati R.; Pandey, Shubham; Malik, Apoorva; Choudhary, Ganpat; Soni, Vineet K.; Sharma, Rakesh K.
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	43
Pages of publication	26644 - 26654
a	14.3406 ± 0.0008 Å
b	17.5842 ± 0.0011 Å
c	19.2583 ± 0.0011 Å
α	90°
β	105.478 ± 0.003°
γ	90°
Cell volume	4680.2 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.139
Residual factor for significantly intense reflections	0.093
Weighted residual factors for significantly intense reflections	0.2791
Weighted residual factors for all reflections included in the refinement	0.3244
Goodness-of-fit parameter for all reflections included in the refinement	1.925
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
267956 (current)	2021-08-05	cif/ Adding structures of 7243344 via cif-deposit CGI script.	7243344.cif