Information card for entry 7102393

Structure parameters

• Formula: C19 H23 N9 O3 S2
• Calculated formula: C18.5 H20.5 N8.5 O2.5 S2
• Title of publication: Structural codons: linearity/helicity interconversion by pyridine/pyrimidine exchange in molecular strands.
• Authors of publication: Odriozola, Ibon; Kyritsakas, Nathalie; Lehn, Jean-Marie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 1
• Pages of publication: 62 - 63
• a: 11.4672 ± 0.0003 Å
• b: 29.3393 ± 0.0008 Å
• c: 7.8434 ± 0.0003 Å
• α: 90°
• β: 120.21 ± 0.005°
• γ: 90°
• Cell volume: 2280.4 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.116
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections: 1.981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No