Information card for entry 2209247

Structure parameters

• Chemical name: Diphenyl(1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yl)phosphine oxide
• Formula: C24 H26 N O P
• Calculated formula: C24 H26 N O P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)N1C(c2c(C1(C)C)cccc2)(C)C
• Title of publication: Diphenyl(1,1,3,3-tetramethyl-2,3-dihydro-1<i>H</i>-isoindol-2-yl)phosphine oxide
• Authors of publication: I. Darren Grice; Ian D. Jenkins; W. Ken Busfield; Karl A. Byriel; Colin H. L. Kennard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2329 - o2330
• a: 14.48 ± 0.02 Å
• b: 8.323 ± 0.001 Å
• c: 18.455 ± 0.005 Å
• α: 90°
• β: 112.28 ± 0.012°
• γ: 90°
• Cell volume: 2058 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0422
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No