Information card for entry 7153546

Structure parameters

• Formula: C24 H18 O2
• Calculated formula: C24 H18 O2
• SMILES: c1cccc2ccc3ccc4c(c5ccccc5c(c4c3c12)OC)OC
• Title of publication: The synthesis of angularly fused polyaromatic compounds by using a light-assisted, base-mediated cyclization reaction
• Authors of publication: Pathak, Rakhi; Vandayar, Kantharuby; van Otterlo, Willem A. L.; Michael, Joseph P.; Fernandes, Manuel A.; de Koning, Charles B.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 23
• Pages of publication: 3504 - 3509
• a: 7.7959 ± 0.0009 Å
• b: 20.639 ± 0.003 Å
• c: 11.0953 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1785.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No