Information card for entry 7160250

Structure parameters

• Formula: C26 H17 N O2
• Calculated formula: C26 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: 7.6312 ± 0.0004 Å
• b: 9.6106 ± 0.0005 Å
• c: 12.8959 ± 0.0008 Å
• α: 72.286 ± 0.003°
• β: 81.389 ± 0.003°
• γ: 88.455 ± 0.003°
• Cell volume: 890.62 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No