Information card for entry 7160249

Structure parameters

• Formula: C22 H17 N O2
• Calculated formula: C22 H17 N O2
• Title of publication: Pentagon-embedded N-doped coumarinacenes: tandem synthesis and tunable photophysical attributes for biomolecular probing.
• Authors of publication: Nitisha, ?; Sahu, Sonali; Parthasarathy, Venkatakrishnan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 4
• Pages of publication: 873 - 883
• a: 16.9636 ± 0.0008 Å
• b: 5.4254 ± 0.0002 Å
• c: 18.4927 ± 0.0008 Å
• α: 90°
• β: 108.262 ± 0.002°
• γ: 90°
• Cell volume: 1616.24 ± 0.12 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No