Information card for entry 7158862

Structure parameters

• Formula: C27 H25 N O2
• Calculated formula: C27 H25 N O2
• SMILES: n1c2c(c3c(c1c1ccccc1O)CC(CC3=O)C(C)(C)C)ccc1c2cccc1
• Title of publication: Regioselective synthetic approach for key precursors of 6-aryl benzo[c]phenanthridin-10-ol derivatives: A useful compound for selective chromogenic recognition of fluoride
• Authors of publication: Yashmin, Sabina; Mondal, Santa; Das, Riyanka; Banerjee, Priyabrata; Khan, Abu Taleb
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 16.672 ± 0.006 Å
• b: 11.449 ± 0.004 Å
• c: 11.109 ± 0.004 Å
• α: 90°
• β: 94.864 ± 0.01°
• γ: 90°
• Cell volume: 2112.8 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1536
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1904
• Weighted residual factors for all reflections included in the refinement: 0.2403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No