Information card for entry 2004683

Structure parameters

• Formula: C75 H14 O2
• Calculated formula: C72.5 H14 O2
• SMILES: COc1ccc(cc1)C1(c2ccc(cc2)OC)C23C41c1c5c6c3c3c7c2c2c8c4c4c1c1c9c5c5c6c6c3c3c%10c7c7c2c2c8c8c4c4c1c1c9c9c5c5c6c3c3c6c%10c7c7c2c2c8c4c4c1c1c9c5c3c3c6c7c2c4c13
• Title of publication: Bis(4-methoxyphenyl)methano[60]fullerene with a Methano Bridge at the 6‒6-Ring Junction
• Authors of publication: Tezuka, Y.; Kawasaki, N.; Yajima, H.; Ishii, T.; Oyama, T.; Takeuchi, K.; Nakao, A.; Katayama, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 1008 - 1010
• a: 11.323 ± 0.002 Å
• b: 17.602 ± 0.004 Å
• c: 9.852 ± 0.002 Å
• α: 90°
• β: 101.94 ± 0.02°
• γ: 90°
• Cell volume: 1921.1 ± 0.7 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 0.756
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No