Crystallography Open Database

Information card for entry 7247058

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Coordinates	7247058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H54 F12 N6 O4
Calculated formula	C54 H54 F12 N6 O4
Title of publication	Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity
Authors of publication	Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	41
Pages of publication	5787 - 5795
a	19.785 ± 0.004 Å
b	18.079 ± 0.004 Å
c	16.343 ± 0.003 Å
α	90°
β	115.629 ± 0.007°
γ	90°
Cell volume	5270.6 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1441
Residual factor for significantly intense reflections	0.0887
Weighted residual factors for significantly intense reflections	0.2464
Weighted residual factors for all reflections included in the refinement	0.2799
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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