Information card for entry 7134280

Structure parameters

• Formula: C27 H25 N2 O2 P
• Calculated formula: C27 H25 N2 O2 P
• Title of publication: DBU-promoted cascade phosphorylation/cyclization for the synthesis of phosphorylated 3-aminoindoles.
• Authors of publication: Xu, Dong-Ping; Huang, Fei; Jin, Li-Zhen; Huang, Meng-Ya; Zhang, Wu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 25
• Pages of publication: 4816 - 4819
• a: 8.3695 ± 0.0012 Å
• b: 10.144 ± 0.002 Å
• c: 14.956 ± 0.003 Å
• α: 72.992 ± 0.007°
• β: 78.674 ± 0.006°
• γ: 80.115 ± 0.006°
• Cell volume: 1181.7 ± 0.4 ų
• Cell temperature: 297.15 K
• Ambient diffraction temperature: 297.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No