Information card for entry 7119503

Structure parameters

• Formula: C24 H30 N4 O0
• Calculated formula: C24 H30 N4
• SMILES: c1cc2[C@@]3([C@@]45c6c(cccc6)N([C@@H]4N(CC5)C)C)[C@H](N(CC3)C)N(C)c2cc1
• Title of publication: Development of catalytic deacylative alkylations (DaA) of 3-acyl-2-oxindoles: total synthesis of meso-chimonanthine and related alkaloids.
• Authors of publication: Kumar, Nivesh; Das, Mrinal Kanti; Ghosh, Santanu; Bisai, Alakesh
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 2170 - 2173
• a: 9 ± 0.0004 Å
• b: 14.0771 ± 0.0007 Å
• c: 15.5933 ± 0.0008 Å
• α: 90°
• β: 90.682 ± 0.003°
• γ: 90°
• Cell volume: 1975.44 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0999
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No