Information card for entry 4021998

Structure parameters

• Formula: C152 H166 F12 N24 O36
• Calculated formula: C152 H132 F12 N24 O36
• SMILES: O=N(=O)c1cccc2c1nc(cc2OCC(C)C)C(=O)Nc1cccc2c1nc(cc2OCC(C)C)C(=O)Nc1cccc2c1nc(cc2OCCCNC(=O)C(F)(F)F)C(=O)Nc1cccc2c1nc(cc2OCC(C)C)C(=O)Nc1cccc2c1nc(cc2OCCCNC(=O)C(F)(F)F)C(=O)Nc1cccc2c1nc(cc2OCC(C)C)C(=O)Nc1cccc2c1nc(cc2OCC(C)C)C(=O)Nc1cccc2c1nc(cc2OCCCNC(=O)C(F)(F)F)C(=O)Nc1cccc2c1nc(cc2OCC(C)C)C(=O)Nc1cccc2c1nc(cc2OCCCNC(=O)C(F)(F)F)C(=O)OC.O.OC.OC.OC.OC.OC.OC.O.OC
• Title of publication: Amphipathic Helices from Aromatic Amino Acid Oligomers
• Authors of publication: Elizabeth R. Gillies; Christel Dolain; Jean-Michel Léger; Ivan Huc
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 7931 - 7939
• a: 17.0458 ± 0.0003 Å
• b: 21.4658 ± 0.0003 Å
• c: 21.6536 ± 0.0005 Å
• α: 89.712 ± 0.002°
• β: 78.77 ± 0.002°
• γ: 80.944 ± 0.002°
• Cell volume: 7671.8 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1223
• Residual factor for significantly intense reflections: 0.1136
• Weighted residual factors for significantly intense reflections: 0.4073
• Weighted residual factors for all reflections included in the refinement: 0.4387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No