Information card for entry 2222262

Structure parameters

• Chemical name: 4,8,9,10-Tetrakis(4-fluorophenyl)-1,3-diazatricyclo[3.3.1.1]decan-6-one
• Formula: C32 H24 F4 N2 O
• Calculated formula: C32 H24 F4 N2 O
• SMILES: Fc1ccc([C@H]2N3CN4[C@@H](c5ccc(F)cc5)C([C@@H]3c3ccc(F)cc3)C(=O)C2[C@H]4c2ccc(F)cc2)cc1
• Title of publication: 4,8,9,10-Tetrakis(4-fluorophenyl)-1,3-diazatricyclo[3.3.1.1]decan-6-one
• Authors of publication: Natarajan, S.; Priya, V. Sudha; Vijayakumar, V.; Suresh, J.; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1530
• a: 6.8432 ± 0.0007 Å
• b: 12.5045 ± 0.0011 Å
• c: 28.893 ± 0.0015 Å
• α: 90°
• β: 92.393 ± 0.012°
• γ: 90°
• Cell volume: 2470.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0892
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes