Information card for entry 4025689

Structure parameters

• Formula: C23 H25 N O3
• Calculated formula: C23 H25 N O3
• SMILES: O=C1N([C@@](O)([C@H]2C3c4ccccc4C([C@@H]12)(c1ccccc31)[C@@H](OC)C)C)C.O=C1N([C@](O)([C@@H]2C3c4ccccc4C([C@H]12)(c1ccccc31)[C@H](OC)C)C)C
• Title of publication: Diastereoselective Cycloadditions and Transformations of N-Alkyl and N-Aryl Maleimides with Chiral 9-Anthrylethanol Derivatives
• Authors of publication: Harry Adams; Tareg M. Elsunaki; Isaac Ojea-Jiménez; Simon Jones; Anthony J. H. M. Meijer
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 6252 - 6262
• a: 18.738 ± 0.006 Å
• b: 11.896 ± 0.004 Å
• c: 18.771 ± 0.006 Å
• α: 90°
• β: 110.337 ± 0.004°
• γ: 90°
• Cell volume: 3923 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No