Information card for entry 7155299

Structure parameters

• Formula: C39 H24 N2 O2
• Calculated formula: C39 H24 N2 O2
• SMILES: n1c2n(c(c3ccccc3)c(c3ccccc3)c3c2ccc(c3)C(=O)OC)c2c3c4c5c(c12)cccc5ccc4ccc3
• Title of publication: Synthesis and photophysics of extended π-conjugated systems of substituted 10-aryl-pyrenoimidazoles.
• Authors of publication: Karthik, Shanmugam; Ajantha, Joseph; Nagaraja, C. M.; Easwaramoorthi, Shanmugam; Gandhi, Thirumanavelan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 43
• Pages of publication: 10255 - 10266
• a: 10.877 ± 0.005 Å
• b: 11.117 ± 0.005 Å
• c: 11.854 ± 0.005 Å
• α: 97.983 ± 0.005°
• β: 103.313 ± 0.005°
• γ: 94.203 ± 0.005°
• Cell volume: 1373.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No