Information card for entry 2003180

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 ų
• 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 Fobs: No