Information card for entry 7158353

Structure parameters

• Formula: C34 H59 Cl N4 O3
• Calculated formula: C34 H59 Cl N4 O3
• SMILES: c1(ccc(cc1)NC(=O)NCC12CC3CC(C1)CC(C2)C3)N(=O)=O.C(CCC)[N+](CCCC)(CCCC)CCCC.[Cl-]
• Title of publication: Delivering anion transporters to lipid bilayers in water.
• Authors of publication: McNaughton, Daniel A.; To, Tsz Ying Teresa; Hawkins, Bryson A.; Hibbs, David E.; Gale, Philip A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 44
• Pages of publication: 9624 - 9628
• a: 8.1181 ± 0.0002 Å
• b: 13.6649 ± 0.0004 Å
• c: 17.6062 ± 0.0006 Å
• α: 108.557 ± 0.003°
• β: 100.746 ± 0.002°
• γ: 95.887 ± 0.002°
• Cell volume: 1791.4 ± 0.1 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No