Information card for entry 4021548

Structure parameters

• Formula: C26 H24 O
• Calculated formula: C26 H24 O
• SMILES: O[C@@](c1c(c2cccc3ccccc23)cccc1)(Cc1c(cccc1)C)C
• Title of publication: Stereodynamics and Edge-to-Face CH-π Aromatic Interactions in o-Phenethyl-Substituted Biaryls
• Authors of publication: W. Brian Jennings; Brid M. Farrell; John F. Malone
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 2277 - 2282
• a: 7.5263 ± 0.0015 Å
• b: 16.602 ± 0.003 Å
• c: 7.8093 ± 0.0016 Å
• α: 90°
• β: 98.89 ± 0.03°
• γ: 90°
• Cell volume: 964.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No