Crystallography Open Database

Information card for entry 7132558

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Coordinates	7132558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H74 O10 S4
Calculated formula	C61 H74 O10 S4
Title of publication	Constructing a solid-state supramolecular polymer based on host-guest recognition between perethylated pillar[5]arene and tetrathiafulvalene.
Authors of publication	Zhao, Xueru; Hua, Bin; Shao, Li
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	9
Pages of publication	1164 - 1167
a	21.59 ± 0.004 Å
b	20.575 ± 0.003 Å
c	13.578 ± 0.002 Å
α	90°
β	97.516 ± 0.005°
γ	90°
Cell volume	5979.7 ± 1.7 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 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	0.2097
Residual factor for significantly intense reflections	0.1555
Weighted residual factors for significantly intense reflections	0.4375
Weighted residual factors for all reflections included in the refinement	0.5004
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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