Information card for entry 4023538

Structure parameters

• Formula: C29 H34
• Calculated formula: C29 H34
• SMILES: C1(=C2C(=C3[C@H]1C1C[C@H]4CC3C[C@H](C4)C1)C1C[C@H]3CC2C[C@@H](C1)C3)c1ccccc1.C1(=C2C(=C3[C@@H]1C1C[C@@H]4CC3C[C@@H](C4)C1)C1C[C@@H]3CC2C[C@H](C1)C3)c1ccccc1
• 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: 6.3533 ± 0.0012 Å
• b: 17.527 ± 0.003 Å
• c: 18.82 ± 0.004 Å
• α: 90°
• β: 96.512 ± 0.004°
• γ: 90°
• Cell volume: 2082.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.0906
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No