Information card for entry 1507474

Structure parameters

• Formula: C134 H28 Cl12 O6 P2
• Calculated formula: C134 H28 Cl12 O6 P2
• Title of publication: Synthesis, X-ray Structure, and Properties of the Singly Bonded C60Dimer Having Diethoxyphosphorylmethyl Groups Utilizing the Chemistry of C602-
• Authors of publication: Cheng, Fuyong; Murata, Yasujiro; Komatsu, Koichi
• Journal of publication: Organic Letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 15
• Pages of publication: 2541
• a: 19.81 ± 0.003 Å
• b: 15.45 ± 0.002 Å
• c: 28.723 ± 0.004 Å
• α: 90°
• β: 101.23 ± 0.005°
• γ: 90°
• Cell volume: 8623 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1344
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.2564
• Weighted residual factors for all reflections included in the refinement: 0.2822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No