Crystallography Open Database

Information card for entry 4034998

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Coordinates	4034998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65.5 H9 N S3
Calculated formula	C65.5 H9 N S3
Title of publication	Copper-Catalyzed Aerobic Oxidative Reaction of C<sub>60</sub> with Aliphatic Primary Amines and CS<sub>2</sub>.
Authors of publication	Wu, Sheng-Li; Gao, Xiang
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	4
Pages of publication	2125 - 2130
a	10.0873 ± 0.0008 Å
b	13.9444 ± 0.0013 Å
c	12.7124 ± 0.0019 Å
α	90°
β	106.462 ± 0.011°
γ	90°
Cell volume	1714.8 ± 0.3 Å³
Cell temperature	103.3 K
Ambient diffraction temperature	103.3 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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