Information card for entry 7159808

Structure parameters

• Formula: C23 H19 N O
• Calculated formula: C23 H19 N O
• SMILES: O=C1Nc2ccccc2[C@]21C[C@H]2Cc1ccc(cc1)c1ccccc1.O=C1Nc2ccccc2[C@@]21C[C@@H]2Cc1ccc(cc1)c1ccccc1
• Title of publication: Alkene carboamination/oxidative denitrogenation of 3-allyl-3-hydrazinylindolin-2-ones: one-pot entry to spirocyclopropyloxindoles.
• Authors of publication: Manenti, Marco; Villa, Tommaso; Macetti, Giovanni; Silvani, Alessandra
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 10
• Pages of publication: 2124 - 2136
• a: 11.543 ± 0.0006 Å
• b: 11.9861 ± 0.0009 Å
• c: 13.867 ± 0.0009 Å
• α: 84.966 ± 0.006°
• β: 76.217 ± 0.005°
• γ: 62.126 ± 0.006°
• Cell volume: 1646.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1936
• Residual factor for significantly intense reflections: 0.1597
• Weighted residual factors for significantly intense reflections: 0.4266
• Weighted residual factors for all reflections included in the refinement: 0.4461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No