Information card for entry 1518286

Structure parameters

• Formula: C13 H24 Cl N2 O3 P
• Calculated formula: C13 H24 Cl N2 O3 P
• SMILES: P(=O)(c1n(C(C)C)c(C)c([n+]1C(C)C)C)(OCCCl)[O-]
• Title of publication: Synthesis and Topological Trapping of Cyclic Poly(alkylene phosphates)
• Authors of publication: Stukenbroeker, Tyler S.; Solis-Ibarra, Diego; Waymouth, Robert M.
• Journal of publication: Macromolecules
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 23
• Pages of publication: 8224
• a: 8.4372 ± 0.0009 Å
• b: 16.6637 ± 0.0019 Å
• c: 11.7836 ± 0.0012 Å
• α: 90°
• β: 91.114 ± 0.004°
• γ: 90°
• Cell volume: 1656.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No