Information card for entry 4511574

Structure parameters

• Formula: C19 H42 N2 O2 S
• Calculated formula: C19 H42 N2 O2 S
• SMILES: C(CCCCCCCCCCCCCCC)S(=O)([O-])=N[N+](C)(C)C
• Title of publication: A Model for a Lipid Membrane Stabilized by C−H···X Bonds: The Crystal Structure of the Paraffinic Ylide Trimethylammonion-Hexadecylsulfonamidate CH3(CH2)15SO2N(−)N(+)Me3
• Authors of publication: Morris, David G.; Ryder, Karl S.; Muir, Kenneth W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 361
• a: 5.6334 ± 0.0005 Å
• b: 39.286 ± 0.003 Å
• c: 9.6819 ± 0.0006 Å
• α: 90°
• β: 91.276 ± 0.007°
• γ: 90°
• Cell volume: 2142.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1743
• Residual factor for significantly intense reflections: 0.1115
• Weighted residual factors for significantly intense reflections: 0.2968
• Weighted residual factors for all reflections included in the refinement: 0.351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No