Crystallography Open Database

Information card for entry 7217749

Preview

Coordinates	7217749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H29 N O13
Calculated formula	C24 H29 N O13
SMILES	[C@H]1([C@H]([C@@H]([C@H]([C@H](COC(=O)C)O1)OC(=O)C)OC(=O)C)OC(=O)C)CC(=O)C[C@H](c1ccccc1N(=O)=O)O
Title of publication	Exploration, synthesis and studies of gel forming simple sugar-chalcone derivatives
Authors of publication	Hemamalini, Arasappan; Mohan das, Thangamuthu
Journal of publication	RSC Advances
Year of publication	2014
a	9.523 ± 0.005 Å
b	5.419 ± 0.005 Å
c	26.034 ± 0.005 Å
α	90 ± 0.005°
β	95.631 ± 0.005°
γ	90 ± 0.005°
Cell volume	1337 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
180508 (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 7/21/77.	7217749.cif
121942	2014-08-14	cif/ Adding structures of 7217749 via cif-deposit CGI script.	7217749.cif