Information card for entry 1549224

Structure parameters

• Formula: C26 H33 N2 O2 P
• Calculated formula: C26 H33 N2 O2 P
• SMILES: c1(c(cccc1C(C)C)C(C)C)N=P(N(C)C)(Oc1ccccc1)Oc1ccccc1
• 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: 8.587 ± 0.002 Å
• b: 17.687 ± 0.005 Å
• c: 16.43 ± 0.005 Å
• α: 90°
• β: 99.539 ± 0.006°
• γ: 90°
• Cell volume: 2460.9 ± 1.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No