Information card for entry 7005530

Structure parameters

• Formula: C30 H28 O4
• Calculated formula: C30 H28 O4
• SMILES: O(C)c1ccc(C(=C(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
• Title of publication: Stereoselective synthesis of olefins by a reductive coupling reaction.
• Authors of publication: Hua, Guoxiong; Li, Yang; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 15
• Pages of publication: 1477 - 1480
• a: 9.5954 ± 0.0012 Å
• b: 15.3661 ± 0.0019 Å
• c: 16.1322 ± 0.0019 Å
• α: 90°
• β: 93.312 ± 0.003°
• γ: 90°
• Cell volume: 2374.6 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0653
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No