Information card for entry 4023327

Structure parameters

• Formula: C24 H23 N O
• Calculated formula: C24 H23 N O
• SMILES: O1N([C@H]([C@@]2([C@]1([C@H]2C)c1ccccc1)c1ccccc1)c1ccccc1)C.O1N([C@@H]([C@]2([C@@]1([C@@H]2C)c1ccccc1)c1ccccc1)c1ccccc1)C
• 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: 10.2505 ± 0.0004 Å
• b: 14.0328 ± 0.0006 Å
• c: 13.0709 ± 0.0005 Å
• α: 90°
• β: 94.134 ± 0.001°
• γ: 90°
• Cell volume: 1875.27 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No