Information card for entry 7240161

Structure parameters

• Formula: C27 H22 F N O2
• Calculated formula: C27 H22 F N O2
• SMILES: Fc1ccc(cc1)C1c2c(OC)cccc2N(c2ccccc2)c2cccc(OC)c12
• Title of publication: Efficient iron catalyzed ligand-free access to acridines and acridinium ions
• Authors of publication: Mandal, Susanta; Chhetri, Karan; Bhuyan, Samuzal; Roy, Biswajit G.
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 10
• Pages of publication: 3178 - 3185
• a: 8.2718 ± 0.0008 Å
• b: 10.4182 ± 0.0009 Å
• c: 13.163 ± 0.0011 Å
• α: 113.112 ± 0.008°
• β: 93.907 ± 0.007°
• γ: 91.575 ± 0.008°
• Cell volume: 1039.06 ± 0.17 ų
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.2442
• Weighted residual factors for all reflections included in the refinement: 0.2934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0727
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No