Crystallography Open Database

Information card for entry 7133090

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Coordinates	7133090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C142 H52 O8 S8
Calculated formula	C142 H52 O8 S8
Title of publication	A π-Extended Molecular Belt with Selective Binding Capability for Fullerene C70
Authors of publication	Du, Zhenglin; Xie, Jialin; Liu, Yandie; Tang, Yisong; Chen, Qing; Li, Xia; Zhu, Kelong
Journal of publication	Chemical Communications
Year of publication	2024
a	17.1449 ± 0.0006 Å
b	33.6954 ± 0.0012 Å
c	21.4769 ± 0.0007 Å
α	90°
β	92.559 ± 0.002°
γ	90°
Cell volume	12394.9 ± 0.7 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1545
Residual factor for significantly intense reflections	0.0932
Weighted residual factors for significantly intense reflections	0.2816
Weighted residual factors for all reflections included in the refinement	0.3397
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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