Information card for entry 7240160

Structure parameters

• Formula: C30 H26 Cl7 N O2
• Calculated formula: C30 H26 Cl7 N O2
• SMILES: O(c1cccc2[n+](c3c(c(c12)c1c(cccc1)C)c(OC)ccc3)c1ccccc1)C.ClC(Cl)Cl.ClC(Cl)Cl.[Cl-]
• 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: 10.1043 ± 0.0008 Å
• b: 12.8257 ± 0.0009 Å
• c: 12.9176 ± 0.0009 Å
• α: 90°
• β: 104.397 ± 0.008°
• γ: 90°
• Cell volume: 1621.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2242
• Weighted residual factors for all reflections included in the refinement: 0.2535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No