Information card for entry 4029560

Structure parameters

• Chemical name: Syn-5,10,15 triol-5,10,15-tris-(4-(1-naphthyl)-benzyl)- 10,15-dehydro-5H-diindeno [1,2-a; 1`, 2`-c]fluorene'
• Formula: C79 H54 Cl2 O3
• Calculated formula: C79 H54 Cl2 O3
• Title of publication: A C78 fullerene precursor: toward the direct synthesis of higher fullerenes.
• Authors of publication: Amsharov, Konstantin Yu; Jansen, Martin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2008
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 2931 - 2934
• a: 21.5273 ± 0.0015 Å
• b: 19.4257 ± 0.0013 Å
• c: 27.1517 ± 0.0019 Å
• α: 90°
• β: 98.057 ± 0.001°
• γ: 90°
• Cell volume: 11242.3 ± 1.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.2401
• Weighted residual factors for all reflections included in the refinement: 0.2662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No