Information card for entry 4026654

Structure parameters

• Formula: C58 H52 O2
• Calculated formula: C58 H52 O2
• Title of publication: Synthesis of Bridged Molecular Gyroscopes with Closed Topologies: Triple One-Pot Macrocyclization
• Authors of publication: Patrick Commins; Jose E. Nuñez; Miguel A. Garcia-Garibay
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 8355 - 8363
• a: 12.132 ± 0.003 Å
• b: 12.907 ± 0.003 Å
• c: 28.247 ± 0.007 Å
• α: 90°
• β: 97.553 ± 0.003°
• γ: 90°
• Cell volume: 4384.8 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.1027
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No