Information card for entry 2011112

Structure parameters

• Formula: C41 H41 I N2 P2
• Calculated formula: C41 H41 I N2 P2
• SMILES: P(N(C)c1ccc(cc1)C)(=C[P+](N(C)c1ccc(cc1)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
• Title of publication: {[(<i>N</i>-Methyl-<i>p</i>-toluidino)diphenylphosphoranylidene]methyl}(<i>N</i>-methyl-<i>p</i>-toluidino)diphenylphosphonium iodide
• Authors of publication: Ellis, Dianne D.; Spek, Anthony L.; Imhoff, Pieter; Elsevier, Cornelis J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 836 - 837
• a: 13.3126 ± 0.0005 Å
• b: 14.3251 ± 0.0005 Å
• c: 18.9767 ± 0.0007 Å
• α: 90°
• β: 95.819 ± 0.003°
• γ: 90°
• Cell volume: 3600.3 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0851
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes