Information card for entry 2011761

Structure parameters

• Chemical name: (2E)-1,2-Diaza-3-phenylprop-2-enyl-tri(cyclohexyl)phosphonium chloride
• Formula: C25 H40 Cl N2 P
• Calculated formula: C25 H40 Cl N2 P
• SMILES: [P+](NN=Cc1ccccc1)(C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Cl-]
• Title of publication: [(2<i>E</i>)-2-Benzylidenehydrazino]tricyclohexylphosphonium chloride
• Authors of publication: Batsanov, Andrei S.; Howard, Judith A. K.; Snowden, David G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 195 - 196
• a: 12.106 ± 0.003 Å
• b: 13.187 ± 0.003 Å
• c: 15.819 ± 0.004 Å
• α: 90°
• β: 99.62 ± 0.02°
• γ: 90°
• Cell volume: 2489.9 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No