Crystallography Open Database

Information card for entry 1554726

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Coordinates	1554726.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C60(OCH2CCl3)8
Formula	C76 H16 Cl24 O8
Calculated formula	C76 H16 Cl24 O8
Title of publication	Highly soluble C2v-symmetrical fullerene derivatives: efficient synthesis, characterization, and electrochemical study
Authors of publication	Ma, Yue; Uchiyama, Kouya; Ueno, Hiroshi; Okada, Hiroshi; Moriyama, Hiroshi; Matsuo, Yutaka
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	9
Pages of publication	1372
a	21.782 Å
b	13.957 Å
c	24.511 Å
α	90°
β	110.66°
γ	90°
Cell volume	6972.41 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1543
Residual factor for significantly intense reflections	0.1397
Weighted residual factors for significantly intense reflections	0.318
Weighted residual factors for all reflections included in the refinement	0.3292
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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