Crystallography Open Database

Information card for entry 7244901

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Coordinates	7244901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H28 I4 O4
Calculated formula	C40 H28 I4 O4
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	12.8824 ± 0.0008 Å
b	19.0447 ± 0.0011 Å
c	15.1918 ± 0.0011 Å
α	90°
β	98.548 ± 0.005°
γ	90°
Cell volume	3685.8 ± 0.4 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
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	0.1554
Residual factor for significantly intense reflections	0.099
Weighted residual factors for significantly intense reflections	0.2093
Weighted residual factors for all reflections included in the refinement	0.2351
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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