Information card for entry 1551338

Structure parameters

• Formula: C259 H311 Cl3 N32 O83 P16 Si
• Calculated formula: C195 H151 Cl3 N32 O83 P16 Si
• SMILES: CC(C)(C)OC(=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(C(=O)NCc3c4nc(cc(OCP(=O)(O)[O-])c4ccc3)C(=O)Nc3c4nc(cc(OCP(=O)(O)[O-])c4ccc3)C(=O)NCc3c4nc(cc(c4ccc3)OCP(=O)(O)[O-])C(=O)Nc3c4nc(cc(c4ccc3)OCP(=O)(O)[O-])C(=O)NCc3c4nc(cc(c4ccc3)OCP(=O)(O)[O-])C(=O)Nc3c4nc(cc(OCP(=O)(O)[O-])c4ccc3)C(=O)NCc3c4nc(C(=O)Nc5c6nc(cc(OCP(=O)(O)[O-])c6ccc5)C(=O)NCc5c6nc(cc(c6ccc5)OCP(=O)(O)[O-])C(=O)Nc5c6nc(cc(OCP(=O)(O)[O-])c6ccc5)C(=O)NCc5c6nc(cc(c6ccc5)OCP(=O)(O)[O-])C(=O)Nc5c6nc(cc(OCP(=O)(O)[O-])c6ccc5)C(=O)OCC[Si](C)(C)C)cc(c4ccc3)OCP(=O)(O)[O-])cc(c2ccc1)OCP(=O)(O)[O-].C(Cl)(Cl)Cl
• 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: 42.984 ± 0.002 Å
• b: 52.9718 ± 0.0014 Å
• c: 33.962 ± 0.002 Å
• α: 90°
• β: 126.304 ± 0.002°
• γ: 90°
• Cell volume: 62319 ± 5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.3397
• Residual factor for significantly intense reflections: 0.1574
• Weighted residual factors for significantly intense reflections: 0.3276
• Weighted residual factors for all reflections included in the refinement: 0.3615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No