Information card for entry 1549222

Structure parameters

• Formula: C24 H37 N2 O2 P
• Calculated formula: C24 H37 N2 O2 P
• SMILES: c1(c(C(C)C)cccc1C(C)C)N=P12N(C=C(C(C)(C)C)O2)C=C(C(C)(C)C)O1
• 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: 19.931 ± 0.008 Å
• b: 12.616 ± 0.008 Å
• c: 21.565 ± 0.012 Å
• α: 90°
• β: 109.346 ± 0.014°
• γ: 90°
• Cell volume: 5116 ± 5 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No