Crystallography Open Database

Information card for entry 7133089

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Coordinates	7133089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H62 N2 O12 S8
Calculated formula	C84 H62 N2 O12 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	27.458 ± 0.006 Å
b	23.377 ± 0.005 Å
c	11.615 ± 0.003 Å
α	90°
β	90.454 ± 0.009°
γ	90°
Cell volume	7455 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1736
Weighted residual factors for all reflections included in the refinement	0.1914
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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