Crystallography Open Database

Information card for entry 4509884

Preview

Coordinates	4509884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H46 N2 O11 S
Calculated formula	C26 H46 N2 O11 S
Title of publication	Crystallization and Solid-State Characterization of the Hemihydrate of Albuterol Hemisulfate
Authors of publication	Bis, Joanna A.; Boyle, Paul D.; Carino, Stephen A. R.; Igo, David H.; Katrincic, Lee M.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	2
Pages of publication	775
a	14.497 ± 0.005 Å
b	17.021 ± 0.006 Å
c	12.332 ± 0.004 Å
α	90°
β	103.739 ± 0.016°
γ	90°
Cell volume	2955.9 ± 1.8 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1144
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1534
Weighted residual factors for all reflections included in the refinement	0.1819
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
179634 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/98.	4509884.cif
104104	2014-03-10	cif/ Adding structures of 4509884 via cif-deposit CGI script.	4509884.cif