Information card for entry 2215387

Structure parameters

• Chemical name: rac-Diethyl [(1S,2R)-1-(4-bromophenyl)-6-hydroxy-3-oxo-2,3-dihydro-1H- benzo[f]chromen-2-yl]phosphonate
• Formula: C23 H22 Br O6 P
• Calculated formula: C23 H22 Br O6 P
• Title of publication: <i>rac</i>-Diethyl [(1<i>S</i>,2<i>R</i>)-1-(4-bromophenyl)-6-hydroxy-3-oxo-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-2-yl]phosphonate
• Authors of publication: Henryk Krawczyk; Łukasz Albrecht; Jakub Wojciechowski; Wojciech M. Wolf
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4148 - o4148
• a: 12.8328 ± 0.0005 Å
• b: 11.75 ± 0.0005 Å
• c: 15.8477 ± 0.0007 Å
• α: 90°
• β: 93.184 ± 0.001°
• γ: 90°
• Cell volume: 2385.91 ± 0.17 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0266
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes