Crystallography Open Database

Information card for entry 7243237

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Coordinates	7243237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 Cl N3 O3
Calculated formula	C17 H20 Cl N3 O3
Title of publication	A new solvate of clonixin and a comparison of the two clonixin solvates
Authors of publication	Zhoujin, Yunping; Zhang, Mingtao; Parkin, Sean; Li, Tonglei; Yu, Faquan; Long, Sihui
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	40
Pages of publication	24836 - 24842
a	15.4376 ± 0.0004 Å
b	5.92226 ± 0.00013 Å
c	19.0732 ± 0.0006 Å
α	90°
β	100.548 ± 0.003°
γ	90°
Cell volume	1714.31 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0492
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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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