Information card for entry 1519641

Structure parameters

• Formula: C24 H44 N4 Na O5 P
• Calculated formula: C24 H44 N4 Na O5 P
• SMILES: C1(=O)N(CCCC)C(=O)N(CCCC)P21=C([O-])N(CCCC)C(N2CCCC)=O.[Na+].O1CCCC1
• Title of publication: Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources
• Authors of publication: Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 4017
• a: 19.3693 ± 0.0013 Å
• b: 14.6742 ± 0.001 Å
• c: 21.9183 ± 0.0017 Å
• α: 90°
• β: 111.339 ± 0.002°
• γ: 90°
• Cell volume: 5802.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0783
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No