Information card for entry 7134279

Structure parameters

• Formula: C38 H30 N2 O2 P2
• Calculated formula: C38 H30 N2 O2 P2
• SMILES: P(=O)(c1n(P(=O)(c2ccccc2)c2ccccc2)c2c(c1N)c(c1ccccc1)ccc2)(c1ccccc1)c1ccccc1
• 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: 15.3 ± 0.008 Å
• b: 17.905 ± 0.01 Å
• c: 12.534 ± 0.007 Å
• α: 90°
• β: 112.995 ± 0.006°
• γ: 90°
• Cell volume: 3161 ± 3 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No