Information card for entry 1551337

Structure parameters

• Formula: C260 H304 N32 O83 P16
• Calculated formula: C243.5 H249 N32 O83 P16
• SMILES: C(=O)(OC(C)(C)C)NCc1c2nc(cc(OCP(=O)(OCC)OCC)c2ccc1)C(=O)Nc1c2nc(cc(c2ccc1)OCP(=O)(OCC)OCC)C(=O)NCc1c2nc(cc(c2ccc1)OCP(=O)(O)O)C(=O)Nc1c2nc(cc(c2ccc1)OCP(=O)(O)O)C(=O)NCc1c2nc(cc(c2ccc1)OCP(=O)(O)O)C(=O)Nc1c2nc(cc(c2ccc1)OCP(=O)(OCC)OCC)C(=O)NCc1c2nc(cc(c2ccc1)OCP(=O)(O)O)C(=O)Nc1c2nc(cc(OCP(=O)(OCC)OCC)c2ccc1)C(=O)NCc1c2nc(cc(OCP(=O)(OCC)OCC)c2ccc1)C(=O)Nc1c2nc(cc(OCP(=O)(OCC)OCC)c2ccc1)C(=O)NCc1c2nc(cc(OCP(=O)(OCC)OCC)c2ccc1)C(=O)Nc1c2nc(cc(OCP(=O)(OCC)OCC)c2ccc1)C(=O)NCc1c2nc(cc(OCP(=O)(OCC)OCC)c2ccc1)C(=O)Nc1c2nc(C(=O)NCc3c4nc(cc(OCP(=O)(OCC)OCC)c4ccc3)C(=O)Nc3c4nc(cc(c4ccc3)OCP(=O)(O)OC)C(=O)OCc3ccccc3)cc(OCP(=O)(OCC)OCC)c2ccc1
• Title of publication: Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA
• Authors of publication: Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc
• Journal of publication: Nature Chemistry
• Year of publication: 2018
• Journal volume: 10
• Pages of publication: 511 - 518
• a: 22.058 ± 0.008 Å
• b: 36.936 ± 0.013 Å
• c: 39.49 ± 0.012 Å
• α: 91.137 ± 0.015°
• β: 101.582 ± 0.003°
• γ: 105.808 ± 0.008°
• Cell volume: 30232 ± 18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 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: 0.2182
• Residual factor for significantly intense reflections: 0.1765
• Weighted residual factors for significantly intense reflections: 0.4459
• Weighted residual factors for all reflections included in the refinement: 0.4834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.452
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No