Information card for entry 7159598

Structure parameters

• Formula: C21 H15 N O3
• Calculated formula: C21 H15 N O3
• SMILES: Oc1c2c(nc3ccccc3c2)cc(c2ccccc2)c1C(=O)OC
• Title of publication: A sequential Friedländer and anionic benzannulation strategy for the regiodefined assembly of unsymmetrical acridines.
• Authors of publication: Bhatta, Suman; Senapati, Bidyut Kumar; Patra, Sanjib Kumar; Nanda, Samik
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 43
• Pages of publication: 8727 - 8738
• a: 6.384 ± 0.004 Å
• b: 11.473 ± 0.005 Å
• c: 11.661 ± 0.006 Å
• α: 75.635 ± 0.012°
• β: 88.166 ± 0.016°
• γ: 74.104 ± 0.013°
• Cell volume: 795.2 ± 0.7 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: 0.0681
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No