Crystallography Open Database

Information card for entry 7217249

Preview

Coordinates	7217249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H29 N5 O4 Si
Calculated formula	C16 H29 N5 O4 Si
SMILES	C1COCCN1Cc1cn(CCC[Si]234[N](CCO2)(CCO4)CCO3)nn1
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	10.48 ± 0.005 Å
b	10.536 ± 0.004 Å
c	11.09 ± 0.005 Å
α	63.047 ± 0.005°
β	73.639 ± 0.003°
γ	65.682 ± 0.005°
Cell volume	987.8 ± 0.8 Å³
Cell temperature	163 K
Ambient diffraction temperature	163 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	0.0534
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.174
Goodness-of-fit parameter for all reflections included in the refinement	1.204
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.	7217249.cif
171492	2015-12-14	cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic and _chemical_name_common tags with placeholder values from multiple entries.	7217249.cif
120940	2014-07-30	cif/ Adding structures of 7217248, 7217249, 7217250 via cif-deposit CGI script.	7217249.cif