Information card for entry 1519642

Structure parameters

• Formula: C32 H54 N4 Na O6 P
• Calculated formula: C32 H54 N4 Na O6 P
• SMILES: P12(N(C(=O)N(C=1[O-])C1CCCCC1)C1CCCCC1)N(C(=O)N(C2=O)C1CCCCC1)C1CCCCC1.[Na]1[O](C)CC[O]1C
• 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: 10.4709 ± 0.0003 Å
• b: 17.4983 ± 0.0005 Å
• c: 18.6976 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3425.83 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No