Crystallography Open Database

Information card for entry 7247059

Preview

Coordinates	7247059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H96 N8 O12
Calculated formula	C76 H96 N8 O12
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	10.8811 ± 0.0017 Å
b	11.1873 ± 0.0017 Å
c	16.516 ± 0.002 Å
α	70.972 ± 0.006°
β	71.325 ± 0.006°
γ	85.357 ± 0.007°
Cell volume	1800 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1637
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for significantly intense reflections	0.2495
Weighted residual factors for all reflections included in the refinement	0.2907
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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