Information card for entry 4103954

Structure parameters

• Formula: C15 H19 N O3 S
• Calculated formula: C15 H19 N O3 S
• SMILES: c1ccccc1[C@@H]1[C@H]2CCC[C@@H]3[C@@]12CCOS(=O)(=O)N3.c1ccccc1[C@H]1[C@@H]2CCC[C@H]3[C@]12CCOS(=O)(=O)N3
• Title of publication: π-Nucleophile Traps for Metallonitrene/Alkyne Cascade Reactions: A Versatile Process for the Synthesis of α-Aminocyclopropanes and β-Aminostyrenes
• Authors of publication: Aaron R. Thornton; Véronique I. Martin; Simon B. Blakey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 2434 - 2435
• a: 9.67 ± 0.0002 Å
• b: 8.9639 ± 0.0002 Å
• c: 16.6568 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1443.83 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No