Information card for entry 4109185

Structure parameters

• Chemical name: C60C6H4CCSiMe3_5_Me
• Formula: C130 H84 Si5
• Calculated formula: C130 H84 Si5
• SMILES: C12(C3=C4C5=C1C1(c6c7C5(c5c8C4(c4c9C3(c3c%10C2(c2c1c1c6c6c%11c7c5c5c7c8c4c4c8c9c3c3c9c%10c2c2c1c1c6c6c%11c5c5c7c4c4c8c3c3c9c2c1c1c3c4c5c61)C1CCC(CC1)CC[Si](C)(C)C)C1CCC(CC1)CC[Si](C)(C)C)C1CCC(CC1)CC[Si](C)(C)C)C1CCC(CC1)CC[Si](C)(C)C)C1CCC(CC1)CC[Si](C)(C)C)C.C1(CCCCC1)C.C1(CCCCC1)C
• Title of publication: Lamellar Assembly of Conical Molecules Possessing a Fullerene Apex in Crystals and Liquid Crystals
• Authors of publication: Yu-Wu Zhong; Yutaka Matsuo; Eiichi Nakamura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3052 - 3053
• a: 14.449 Å
• b: 17.506 Å
• c: 23.235 Å
• α: 103.57°
• β: 100.73°
• γ: 105.18°
• Cell volume: 5318.23 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2962
• Residual factor for significantly intense reflections: 0.1777
• Weighted residual factors for significantly intense reflections: 0.4183
• Weighted residual factors for all reflections included in the refinement: 0.4836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.304
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No