Information card for entry 1504094

Structure parameters

• Formula: C28 H20 O
• Calculated formula: C28 H20 O
• SMILES: [C@H]12c3cc4ccccc4cc3C(=O)[C@H]1CC=C2c1ccccc1c1ccccc1.[C@@H]12c3cc4ccccc4cc3C(=O)[C@@H]1CC=C2c1ccccc1c1ccccc1
• Title of publication: Small molecule ligands for bulged RNA secondary structures.
• Authors of publication: Meyer, S. Todd; Hergenrother, Paul J.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 18
• Pages of publication: 4052 - 4055
• a: 9.6634 ± 0.0017 Å
• b: 13.954 ± 0.002 Å
• c: 15.464 ± 0.003 Å
• α: 76.183 ± 0.007°
• β: 88.614 ± 0.008°
• γ: 80.276 ± 0.007°
• Cell volume: 1995.5 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2218
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No