Information card for entry 7211827

Structure parameters

• Formula: C23 H25 B F4 N4 O4
• Calculated formula: C23 H25 B F4 N4 O4
• SMILES: [B](F)(F)(F)[F-].c12c(cccc1ccc[nH+]2)OCC(=O)Nc1cccc2cccnc12.C(=O)N(C)C.O
• Title of publication: Different spatial orientations of amide derivatives on anion coordination
• Authors of publication: Kalita, Dipjyoti; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1562
• a: 6.77 ± 0.0003 Å
• b: 11.7365 ± 0.0005 Å
• c: 30.6874 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2438.3 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No