Information card for entry 4112852

Structure parameters

• Formula: C39 H61 K O3
• Calculated formula: C39 H61 K O3
• Title of publication: Spin-Localized Cyclopentadienyl Radical Annelated with Homoadamantene Frameworks: Isolation, X-ray Crystal Structure, and ESR Characterization
• Authors of publication: Toshikazu Kitagawa; Kohei Ogawa; Koichi Komatsu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 9930 - 9931
• a: 10.065 ± 0.005 Å
• b: 18.356 ± 0.005 Å
• c: 18.442 ± 0.005 Å
• α: 90 ± 0.005°
• β: 93.821 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3400 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No