Information card for entry 7158761

Structure parameters

• Formula: C15 H13 N O2
• Calculated formula: C15 H13 N O2
• Title of publication: Redox activated amines in the organophotoinduced alkylation of coumarins.
• Authors of publication: Singh, Shashank; Tripathi, Krishna N.; Singh, Ravi P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 29
• Pages of publication: 5716 - 5720
• a: 8.805 ± 0.003 Å
• b: 6.864 ± 0.002 Å
• c: 10.545 ± 0.004 Å
• α: 90°
• β: 110.673 ± 0.01°
• γ: 90°
• Cell volume: 596.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No