Information card for entry 4112625

Structure parameters

• Formula: C24 H23 N O
• Calculated formula: C24 H23 N O
• SMILES: N1(C(/C1=C/C)C(O)(c1ccccc1)c1ccccc1)Cc1ccccc1
• Title of publication: Rare Example of Nucleophilic Substitution at Vinylic Carbon with Inversion: Mechanism of Methyleneaziridine Formation by Sodium Amide Induced Ring Closure Revisited
• Authors of publication: Jason J. Shiers; Michael Shipman; Jerome F. Hayes; Alexandra M. Z. Slawin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 6868 - 6869
• a: 7.4715 ± 0.0008 Å
• b: 11.4568 ± 0.0012 Å
• c: 21.543 ± 0.002 Å
• α: 90°
• β: 94.321 ± 0.002°
• γ: 90°
• Cell volume: 1838.8 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No