Crystallography Open Database

Information card for entry 7244902

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Coordinates	7244902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H60 I4 N4 O5
Calculated formula	C56 H60 I4 N4 O5
Title of publication	Halogen-bonded architectures of multivalent calix[4]arenes
Authors of publication	Gullo, Maria Chiara; Marchiò, Luciano; Casnati, Alessandro; Baldini, Laura
Journal of publication	CrystEngComm
Year of publication	2022
a	12.9348 ± 0.0002 Å
b	22.8426 ± 0.0004 Å
c	39.6053 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	11702 ± 0.3 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.0601
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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