Crystallography Open Database

Information card for entry 7211130

Preview

Coordinates	7211130.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ethenzamide HNO3 salt
Formula	C54 H57 N15 O37
Calculated formula	C54 H57 N15 O37
Title of publication	Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds
Authors of publication	Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	44
Pages of publication	8941
a	38.522 ± 0.005 Å
b	38.522 ± 0.005 Å
c	3.9027 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	5015.5 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0852
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.2001
Weighted residual factors for all reflections included in the refinement	0.2149
Goodness-of-fit parameter for all reflections included in the refinement	1.517
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180442 (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 7/21/11.	7211130.cif
90212	2013-11-17	cif/ Adding structures of 7211127, 7211128, 7211129, 7211130, 7211131, 7211132, 7211133, 7211134, 7211135, 7211136, 7211137, 7211138 via cif-deposit CGI script.	7211130.cif