Information card for entry 7151631

Structure parameters

• Formula: C19 H23 Br2 N2 O3 P
• Calculated formula: C19 H23 Br2 N2 O3 P
• SMILES: [P@](=O)(c1c(cccc1)OC)(N1CCC[C@H]1CNc1c(Br)cc(Br)cc1)OC
• Title of publication: Synthesis of hybrid dendritic molecules with diazaphospholidine oxide grafted at the surface of octavinylsilsesquioxane (OVS).
• Authors of publication: Cheng, Ge; Slawin, Alexandra M. Z.; Vautravers, Nicolas R.; André, Pascal; Morris, Russell E.; Samuel, Ifor D. W.; Cole-Hamilton, David
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 1189 - 1200
• a: 7.529 ± 0.002 Å
• b: 13.009 ± 0.004 Å
• c: 23.237 ± 0.008 Å
• α: 90°
• β: 90.36 ± 0.006°
• γ: 90°
• Cell volume: 2275.9 ± 1.2 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1626
• Residual factor for significantly intense reflections: 0.1516
• Weighted residual factors for significantly intense reflections: 0.3528
• Weighted residual factors for all reflections included in the refinement: 0.3628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No