Crystallography Open Database

Information card for entry 7058963

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Structure parameters

Formula	C23 H16 F3 N3 O4
Calculated formula	C23 H16 F3 N3 O4
Title of publication	Synthesis of an antifungal 1,2,4-triazole drug and establishment of a drug delivery system based on zeolitic imidazolate frameworks
Authors of publication	Jiao, Shulin; Li, Yao-Jia; Gao, Zhiguo; Chen, Ruicheng; Wang, Yan; Zou, Zhihong
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	47
Pages of publication	18823 - 18831
a	7.904 ± 0.0014 Å
b	29.488 ± 0.005 Å
c	9.471 ± 0.002 Å
α	90°
β	103.898 ± 0.019°
γ	90°
Cell volume	2142.8 ± 0.7 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	0.2346
Residual factor for significantly intense reflections	0.1234
Weighted residual factors for significantly intense reflections	0.2943
Weighted residual factors for all reflections included in the refinement	0.3407
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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