Information card for entry 4112141

Structure parameters

• Formula: C108 H69 Cl9 Si5
• Calculated formula: C108 H69 Cl9 Si5
• SMILES: C12C3=C4C5=C1[C@@]1(c6c7[C@]5(c5c8[C@]4(c4c9[C@]3(c3c%10C2(c2c1c1c6c6c%11c7c5c5c7c8c4c4c8c9c3c3c9c%10c2c2c1c1c6c6c%11c5c5c7c4c4c8c3c3c9c2c1c1c3c4c5c61)C[Si](C)(C)C1CCCCC1)C[Si](C)(C)C1CCCCC1)C[Si](C)(C)C1CCCCC1)C[Si](C)(C)C1CCCCC1)C[Si](C)(C)C1CCCCC1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Stacking of Molecules Possessing a Fullerene Apex and a Cup-Shaped Cavity Connected by a Silicon Connection
• Authors of publication: Yutaka Matsuo; Ayako Muramatsu; Ryo Hamasaki; Norihiro Mizoshita; Takashi Kato; Eiichi Nakamura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 432 - 433
• a: 17.991 ± 0.0016 Å
• b: 19.907 ± 0.002 Å
• c: 23.959 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8580.8 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No