Information card for entry 1551340

Structure parameters

• Formula: C140 H168 N16 O39 P8
• Calculated formula: C140 H168 N16 O39 P8
• SMILES: O(C(=O)NCc1c2nc(cc(OCP(=O)(OCC)OCC)c2ccc1)C(=O)Nc1c2nc(C(=O)NCc3c4nc(cc(OCP(=O)(OCC)OCC)c4ccc3)C(=O)Nc3c4nc(C(=O)NCc5cccc6c5nc(cc6OCP(=O)(OCC)OCC)C(=O)Nc5c6nc(C(=O)NCc7c8nc(C(=O)Nc9c%10nc(ccc%10c(cc9)CCP(=O)(OCC)OCC)C(=O)OCc9ccccc9)cc(OCP(=O)(OCC)OCC)c8ccc7)ccc6c(cc5)CCP(=O)(OCC)OCC)ccc4c(cc3)CCP(=O)(OCC)OCC)ccc2c(CCP(=O)(OCC)OCC)cc1)C(C)(C)C
• 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: 17.006 ± 0.003 Å
• b: 20.157 ± 0.004 Å
• c: 24.463 ± 0.005 Å
• α: 75.85 ± 0.03°
• β: 69.66 ± 0.03°
• γ: 85.93 ± 0.03°
• Cell volume: 7623 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1456
• Residual factor for significantly intense reflections: 0.1245
• Weighted residual factors for significantly intense reflections: 0.3044
• Weighted residual factors for all reflections included in the refinement: 0.3189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No