Information card for entry 2240330

Structure parameters

• Formula: C22 H21 F N O3 P
• Calculated formula: C22 H21 F N O3 P
• SMILES: c1(c(ccc2ccccc12)OP1OCC(CO1)(C)C)/C=N/c1ccc(F)cc1
• Title of publication: Crystal structure of (<i>E</i>)-1-{2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]naphthalen-1-yl}-<i>N</i>-(4-fluorophenyl)methanimine
• Authors of publication: Said, Musa A.; Al Belewi, Bayan L.; Hughes, David L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: 85 - 87
• a: 18.3667 ± 0.0008 Å
• b: 5.7898 ± 0.0002 Å
• c: 19.771 ± 0.0007 Å
• α: 90°
• β: 110.87 ± 0.004°
• γ: 90°
• Cell volume: 1964.5 ± 0.14 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes