Information card for entry 4023540

Structure parameters

• Formula: C30 H36 O
• Calculated formula: C30 H36 O
• SMILES: O([C@]12C(=C3C4C[C@H]5CC(C3=C2C2C[C@H]3C[C@H](CC1C3)C2)C[C@@H](C4)C5)c1ccccc1)C.O([C@@]12C(=C3C4C[C@@H]5CC(C3=C2C2C[C@@H]3C[C@@H](CC1C3)C2)C[C@H](C4)C5)c1ccccc1)C
• 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: 11.0557 ± 0.0016 Å
• b: 17.65 ± 0.003 Å
• c: 22.609 ± 0.003 Å
• α: 90°
• β: 97.847 ± 0.003°
• γ: 90°
• Cell volume: 4370.6 ± 1.1 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: 0.0648
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No