Crystallography Open Database

Information card for entry 7217250

Preview

Coordinates	7217250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H22 N4 O4 Si
Calculated formula	C12 H22 N4 O4 Si
SMILES	C(c1cn(CCC[Si]234[N](CCO4)(CCO3)CCO2)nn1)O
Title of publication	Design and Syntheses of Novel Fluorescent Organosilicon‒Based Chemosensors Through Click Silylation: Detection of Biogenic Amines
Authors of publication	Singh, Gurjaspreet; Mangat, SatinderPal Singh; Sharma, Hemant; Singh, Jandeep; Arora, Aanchal; Pannu, Ajay Pal Singh; Singh, Narinder
Journal of publication	RSC Advances
Year of publication	2014
a	23.2106 ± 0.0005 Å
b	11.4407 ± 0.0003 Å
c	14.1836 ± 0.001 Å
α	90°
β	127.208 ± 0.009°
γ	90°
Cell volume	2999.7 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1443
Weighted residual factors for all reflections included in the refinement	0.1653
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180503 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/72.	7217250.cif
120940	2014-07-30	cif/ Adding structures of 7217248, 7217249, 7217250 via cif-deposit CGI script.	7217250.cif