Information card for entry 4330522

Structure parameters

• Formula: C19 H23 N2 O5 P S
• Calculated formula: C19 H23 N2 O5 P S
• SMILES: c1n(c(c[n+]1C(C)C)P(=O)(c1ccccc1)c1ccccc1)C.S(=O)(=O)(O)[O-]
• Title of publication: Synthesis of Backbone P-Functionalized Imidazol-2-ylidene Complexes: En Route to Novel Functional Ionic Liquids
• Authors of publication: Paresh Kumar Majhi; Susanne Sauerbrey; Gregor Schnakenburg; Anthony J. Arduengo; Rainer Streubel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10408 - 10416
• a: 10.918 ± 0.0004 Å
• b: 9.9022 ± 0.0006 Å
• c: 18.843 ± 0.0009 Å
• α: 90°
• β: 98.05 ± 0.003°
• γ: 90°
• Cell volume: 2017.08 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0835
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No