Information card for entry 4023541

Structure parameters

• Formula: C29 H33 F6 Sb
• Calculated formula: C29 H33 F6 Sb
• SMILES: [Sb](F)(F)(F)([F-])(F)F.C1[C@@H]2[C@@]34[C@@H]5[C@@]3([C+](C3=C4C4C[C@@H]6C[C@H](C4)CC3C6)c3ccccc3)C[C@H]1C[C@@H](C5)C2.[Sb](F)(F)(F)([F-])(F)F.C1[C@H]2[C@]34[C@H]5[C@]3([C+](C3=C4C4C[C@H]6C[C@@H](C4)CC3C6)c3ccccc3)C[C@@H]1C[C@H](C5)C2
• Title of publication: Generation and Reaction of a Phenyl-Substituted Cyclopentadienyl Cation Annelated with Two Homoadamantene Frameworks
• Authors of publication: Kohei Ogawa; Shinya Minegishi; Koichi Komatsu; Toshikazu Kitagawa
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 5248 - 5254
• a: 10.012 ± 0.0013 Å
• b: 21.486 ± 0.003 Å
• c: 11.6831 ± 0.0016 Å
• α: 90°
• β: 100.848 ± 0.002°
• γ: 90°
• Cell volume: 2468.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No