Information card for entry 4505256

Structure parameters

• Formula: C23 H45 N3 O3
• Calculated formula: C23 H45 N3 O3
• SMILES: CCCCCCCNC(=O)CCCNC(=O)CCCNC(=O)CCCCCCC
• Title of publication: Peptoads, a group of amphiphilic long-chain triamides.
• Authors of publication: Menger, Fredric M.; Zhang, Hailing
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2005
• Journal volume: 21
• Journal issue: 23
• Pages of publication: 10428 - 10438
• a: 5.0086 ± 0.0003 Å
• b: 5.0672 ± 0.0003 Å
• c: 26.4429 ± 0.0015 Å
• α: 84.845 ± 0.004°
• β: 88.899 ± 0.004°
• γ: 64.261 ± 0.003°
• Cell volume: 601.93 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No