Information card for entry 7158352

Structure parameters

• Formula: C18 H23 N3 O3
• Calculated formula: C18 H23 N3 O3
• SMILES: c1(ccc(cc1)NC(=O)NCC12CC3CC(C1)CC(C2)C3)N(=O)=O
• 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: 13.6962 ± 0.0003 Å
• b: 13.6338 ± 0.0002 Å
• c: 9.271 ± 0.0002 Å
• α: 90°
• β: 104.983 ± 0.003°
• γ: 90°
• Cell volume: 1672.33 ± 0.06 ų
• Cell temperature: 150 ± 0.18 K
• Ambient diffraction temperature: 150 ± 0.18 K
• Number of distinct elements: 4
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No