Information card for entry 4026479

Structure parameters

• Formula: C41 H57 K O3
• Calculated formula: C41 H57 K O3
• Title of publication: Allyl Radical Nature of a Phenylcyclopentadienyl Radical Annelated with Two Homoadamantene Frameworks
• Authors of publication: Kohei Ogawa; Koichi Komatsu; Toshikazu Kitagawa
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 6095 - 6100
• a: 10.7713 ± 0.0012 Å
• b: 18.247 ± 0.002 Å
• c: 17.767 ± 0.002 Å
• α: 90°
• β: 93.433 ± 0.002°
• γ: 90°
• Cell volume: 3485.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.2369
• Weighted residual factors for all reflections included in the refinement: 0.3209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.453
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No