Crystallography Open Database

Information card for entry 7053765

Preview

Coordinates	7053765.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ampheatmine sulphate
Formula	C18 H28 N2 O4 S
Calculated formula	C18 H28 N2 O4 S
Title of publication	The crystal structure and evidence of the phase transition in d-amphetamine sulfate, as studied by X-ray crystallography, DSC and NMR spectroscopy
Authors of publication	Pogorzelec-Glaser, Katarzyna; Kaszyńska, Joanna; Rachocki, Adam; Tritt-Goc, Jadwiga; Piślewski, Narcyz; Pietraszko, Adam
Journal of publication	New Journal of Chemistry
Year of publication	2009
Journal volume	33
Journal issue	9
Pages of publication	1894
a	10.102 ± 0.0019 Å
b	6.318 ± 0.0012 Å
c	16.512 ± 0.006 Å
α	90 ± 0.02°
β	92.07 ± 0.02°
γ	90 ± 0.016°
Cell volume	1053.2 ± 0.5 Å³
Cell temperature	336 ± 2 K
Ambient diffraction temperature	336 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1358
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
180091 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/37.	7053765.cif
96614	2014-01-29	cif/ Adding structures of 7053765, 7053766 via cif-deposit CGI script.	7053765.cif