Crystallography Open Database

Information card for entry 7213728

Preview

Coordinates	7213728.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Hup A Form H2
Formula	C15 H20 N2 O2
Calculated formula	C15 H18 N2 O1.9435
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	12.0653 ± 0.0005 Å
b	29.4244 ± 0.0012 Å
c	7.6893 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2729.81 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1092
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	0.827
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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