Crystallography Open Database

Information card for entry 7241294

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Coordinates	7241294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H72 Cd N24 O20
Calculated formula	C96 H72 Cd N24 O20
Title of publication	A cucurbit[6]uril-based supramolecular assembly test strip for immediate detection of nitrofuran antibiotics in water
Authors of publication	Liu, Mei; Shi, Lulu; Fang, Cao; Zhu, Xiaofei; Li, Hui
Journal of publication	CrystEngComm
Year of publication	2020
a	17.9377 ± 0.0011 Å
b	21.9449 ± 0.0014 Å
c	25.6202 ± 0.0016 Å
α	90°
β	106.696 ± 0.002°
γ	90°
Cell volume	9660 ± 1.1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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