Crystallography Open Database

Information card for entry 7128513

Preview

Coordinates	7128513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H13 O2 S4
Calculated formula	C77 H13 O2 S4
Title of publication	A copper-promoted synthesis of epoxy-bridged [60]fullerene-fused lactones and further derivatization.
Authors of publication	Lu, Wen-Qiang; Zhou, Dian-Bing; Yin, Zheng-Chun; Liu, Qing-Song; Wang, Guan-Wu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	57
Pages of publication	7043 - 7046
a	12.4956 ± 0.00018 Å
b	21.1248 ± 0.0005 Å
c	16.7633 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4424.96 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0748
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1622
Weighted residual factors for all reflections included in the refinement	0.1692
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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