Information card for entry 7134044

Structure parameters

• Formula: C2.71 H2.12 N0.24 O0.12
• Calculated formula: C2.70588 H2.11765 N0.235294 O0.117647
• Title of publication: Cobalt catalysed cross-dehydrogenative coupling of indoles: a photoinduced ligand to metal charge transfer process.
• Authors of publication: Chakrabortty, Gopal; Pratim Sen, Partha; Raha Roy, Sudipta
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 9
• Pages of publication: 1898 - 1901
• a: 14.0903 ± 0.0008 Å
• b: 10.8057 ± 0.0006 Å
• c: 11.6002 ± 0.0006 Å
• α: 90°
• β: 103.06 ± 0.002°
• γ: 90°
• Cell volume: 1720.51 ± 0.16 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No