Information card for entry 1549227

Structure parameters

• Formula: C38 H54 N4 O4 P2
• Calculated formula: C38 H54 N4 O4 P2
• SMILES: C1=C(C(C)(C)C)OP23(N(c4ccc(cc4)C)P45(N2c2ccc(cc2)C)N(C=C(C(C)(C)C)O4)C=C(C(C)(C)C)O5)N1C=C(C(C)(C)C)O3
• 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: 9.2449 ± 0.0012 Å
• b: 21.052 ± 0.003 Å
• c: 20.977 ± 0.003 Å
• α: 90°
• β: 94.271 ± 0.002°
• γ: 90°
• Cell volume: 4071.3 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0902
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No