Information card for entry 4023328

Structure parameters

• Formula: C24 H21 N
• Calculated formula: C23.868 H21 N0.9
• Title of publication: Nitrone Cycloadditions to 1,2-Diphenylcyclopropenes and Subsequent Transformations of the Isoxazolidine Cycloadducts
• Authors of publication: Vyacheslav V. Diev; Oksana N. Stetsenko; Tran Q. Tung; Jürgen Kopf; Rafael R. Kostikov; Alexander P. Molchanov
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 2396 - 2399
• a: 13.5644 ± 0.0012 Å
• b: 17.9443 ± 0.0015 Å
• c: 7.5691 ± 0.0006 Å
• α: 90°
• β: 102.094 ± 0.001°
• γ: 90°
• Cell volume: 1801.5 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• 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: 0.0515
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.793
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No