Information card for entry 4021853

Structure parameters

• Formula: C26 H34 O4
• Calculated formula: C26 H34 O4
• SMILES: O1C(OCC1)C1c2cc(ccc2OCCCCOc2c1cc(cc2)C(C)C)C(C)C
• Title of publication: A Practical Synthesis of Bridged Diarylacetylenes
• Authors of publication: Ruchi Shukla; Daniel M. Brody; Sergey V. Lindeman; Rajendra Rathore
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6124 - 6129
• a: 13.635 ± 0.003 Å
• b: 7.9222 ± 0.0014 Å
• c: 20.448 ± 0.004 Å
• α: 90°
• β: 90.694 ± 0.003°
• γ: 90°
• Cell volume: 2208.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No