Crystallography Open Database

Information card for entry 7213731

Preview

Coordinates	7213731.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Hup A Form s3
Formula	C15.25 H18.75 N2.25 O1.5
Calculated formula	C15.25 H18.75 N2.25 O1.5
Title of publication	Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation
Authors of publication	Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	10
Pages of publication	1919
a	12.1 ± 0.002 Å
b	29.76 ± 0.006 Å
c	7.7 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2772.7 ± 0.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1505
Weighted residual factors for all reflections included in the refinement	0.1681
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
180468 (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 7/21/37.	7213731.cif
105163	2014-03-11	cif/ Adding structures of 7213728, 7213729, 7213730, 7213731, 7213732 via cif-deposit CGI script.	7213731.cif