Information card for entry 7158354

Structure parameters

• Formula: C21 H23 N3 O4
• Calculated formula: C21 H23 N3 O4
• SMILES: C1C2(CNC3=C(C(=O)C3=O)Nc3ccc(cc3)N(=O)=O)CC3CC1CC(C2)C3
• 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: 42.9415 ± 0.0011 Å
• b: 6.2417 ± 0.0002 Å
• c: 13.2277 ± 0.0003 Å
• α: 90°
• β: 94.68 ± 0.002°
• γ: 90°
• Cell volume: 3533.57 ± 0.17 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No