Crystallography Open Database

Information card for entry 7251051

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Coordinates	7251051.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	artesunate 1,10-phenanthroline
Formula	C31 H36 N2 O8
Calculated formula	C31 H36 N2 O8
Title of publication	Novel multicomponent crystal forms of artesunate
Authors of publication	Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	44
Pages of publication	7146 - 7169
a	9.57054 ± 0.00018 Å
b	51.5305 ± 0.0006 Å
c	9.8305 ± 0.0002 Å
α	90°
β	118.766 ± 0.003°
γ	90°
Cell volume	4249.85 ± 0.18 Å³
Cell temperature	99.98 ± 0.11 K
Ambient diffraction temperature	99.98 ± 0.11 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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