Crystallography Open Database

Information card for entry 2003180

2003179 << 2003180 >> 2003181

Preview

Coordinates	2003180.cif
Original IUCr paper	HTML

Structure parameters

Formula	C68 H11 Cl3 O4
Calculated formula	C68 H11 Cl3 O4
SMILES	ClC(Cl)Cl.CCOC(=O)C1(C(=O)OCC)C23C41c1c5c6c4c4c7c2c2c8c3c3c1c1c9c3c3c8c8c%10c2c2c7c7c4c4c6c6c%11c5c1c1c%11c5c%11c6c4c4c7c6c2c%10c2c7c8c3c3c9c1c1c3c7c3c2c6c4c%11c3c51
Title of publication	Diethyl Methano-C~60~-fullerene-61,61-dicarboxylate Chloroform Solvate at 193 K, C~60~C(CO~2~C~2~H~5~)~2~.CHCl~3~
Authors of publication	E. F. Paulus; C. Bingel
Journal of publication	Acta Crystallographica C
Year of publication	1995
Journal volume	51
Journal issue	1
Pages of publication	143 - 146
a	13.665 ± 0.001 Å
b	14.68 ± 0.002 Å
c	19.539 ± 0.002 Å
α	94.965 ± 0.006°
β	104.131 ± 0.007°
γ	90.482 ± 0.008°
Cell volume	3784.9 ± 0.7 Å³
Cell temperature	193 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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