Crystallography Open Database

Information card for entry 7217248

Preview

Coordinates	7217248.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H25 N5 O5 Si
Calculated formula	C20 H25 N5 O5 Si
SMILES	c1cccc2c1C(=O)N(C2=O)Cc1cn(CCC[Si]234[N](CCO2)(CCO3)CCO4)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	22.8796 ± 0.0005 Å
b	7.1945 ± 0.0001 Å
c	25.1019 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	4132 ± 0.3 Å³
Cell temperature	143 K
Ambient diffraction temperature	143 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.15
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.	7217248.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.	7217248.cif
120940	2014-07-30	cif/ Adding structures of 7217248, 7217249, 7217250 via cif-deposit CGI script.	7217248.cif