Information card for entry 2204700

Structure parameters

• Common name: trans-1-(1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxy) 2-dimethoxy-phosphinoyl-1-phenylethene
• Chemical name: trans-1-(1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxy) -2-dimethoxy-phosphinoyl-1-phenylethene
• Formula: C22 H28 N O4 P
• Calculated formula: C22 H28 N O4 P
• SMILES: P(=O)(/C=C(c1ccccc1)/ON1C(C)(C)c2ccccc2C1(C)C)(OC)OC
• Title of publication: <i>trans</i>-2-(Dimethoxyphosphinoyl)-1-phenyl-1-(1,1,3,3-tetramethyl-2,3-dihydro-1<i>H</i>-isoindol-2-yloxy)ethene
• 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: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2386 - o2387
• a: 8.49 ± 0.004 Å
• b: 13.971 ± 0.002 Å
• c: 18.552 ± 0.008 Å
• α: 90°
• β: 90.15 ± 0.02°
• γ: 90°
• Cell volume: 2200.5 ± 1.4 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: 0.0985
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.368
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes