Information card for entry 1549228

Structure parameters

• Formula: C34 H50 B N2 O5 P
• Calculated formula: C34 H50 B N2 O5 P
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1[B]2([N]34C=C(C(C)(C)C)OP14(OC(=C3)C(C)(C)C)OCCCC)Oc1c(cccc1)O2
• Title of publication: Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.
• Authors of publication: Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 18
• Pages of publication: 4338 - 4347
• a: 19.707 ± 0.005 Å
• b: 17.611 ± 0.004 Å
• c: 20.439 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7094 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.2029
• Weighted residual factors for all reflections included in the refinement: 0.2269
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No