Information card for entry 1575092

Structure parameters

• Formula: C24 H23 N O5
• Calculated formula: C24 H23 N O5
• Title of publication: Copper-catalyzed direct regioselective C5-H alkylation reactions of functionalized indoles with α-diazomalonates.
• Authors of publication: Isono, Tomohiro; Harada, Shingo; Yanagawa, Mai; Nemoto, Tetsuhiro
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 33
• Pages of publication: 14967 - 14975
• a: 8.1618 ± 0.0002 Å
• b: 11.0202 ± 0.0003 Å
• c: 12.1858 ± 0.0003 Å
• α: 80.226 ± 0.006°
• β: 71.038 ± 0.005°
• γ: 81.929 ± 0.006°
• Cell volume: 1017.24 ± 0.06 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93.15 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: 0.0563
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No