Information card for entry 1504095

Structure parameters

• Formula: C28 H20 O
• Calculated formula: C28 H20 O
• SMILES: C1C[C@@H]2C(=O)c3cc4ccccc4cc3[C@@H]2C21c1ccccc1c1ccccc21.C1C[C@H]2C(=O)c3cc4ccccc4cc3[C@H]2C21c1ccccc1c1ccccc21
• 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: 17.1785 ± 0.0019 Å
• b: 6.5035 ± 0.0007 Å
• c: 17.2798 ± 0.0018 Å
• α: 90°
• β: 101.927 ± 0.006°
• γ: 90°
• Cell volume: 1888.8 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1776
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No