Information card for entry 4112851

Structure parameters

• Formula: C27 H37
• Calculated formula: C27 H37
• 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: 10.055 ± 0.005 Å
• b: 10.268 ± 0.005 Å
• c: 19.814 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2045.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No