Information card for entry 4034287

Structure parameters

• Formula: C38 H42 N4 O5 S
• Calculated formula: C38 H42 N4 O5 S
• Title of publication: Stabilization and Extraction of Fluoride Anion Using a Tetralactam Receptor.
• Authors of publication: Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 7
• Pages of publication: 4050 - 4057
• a: 9.4746 ± 0.0004 Å
• b: 13.2356 ± 0.0006 Å
• c: 14.2481 ± 0.0007 Å
• α: 79.948 ± 0.003°
• β: 85.978 ± 0.003°
• γ: 84.632 ± 0.003°
• Cell volume: 1748.96 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• 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: 0.073
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No