Information card for entry 7151633

Structure parameters

• Formula: C18 H20 Br N2 O2 P
• Calculated formula: C18 H20 Br N2 O2 P
• SMILES: [P]1(=O)(c2c(OC)ccc(Br)c2)N2CCCC2CN1c1ccccc1
• 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: 9.3517 ± 0.0018 Å
• b: 16.96 ± 0.003 Å
• c: 11.251 ± 0.002 Å
• α: 90°
• β: 103.824 ± 0.003°
• γ: 90°
• Cell volume: 1732.8 ± 0.5 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 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: 0.1268
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.2893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No