Information card for entry 4107719

Structure parameters

• Formula: C26 H27 Cl O4
• Calculated formula: C26 H27 Cl O4
• SMILES: ClC(=C(\C(=C(/C(=C/C(=O)OC)/C(=O)OC)c1ccccc1)c1ccccc1)/CC)/CC
• Title of publication: Selective Linear Triene Formation from Different Alkynes using Zr/Cu system
• Authors of publication: Ken-ichiro Kanno; Eri Igarashi; Lishan Zhou; Kiyohiko Nakajima; Tamotsu Takahashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 5624 - 5625
• a: 8.311 ± 0.0018 Å
• b: 19.218 ± 0.007 Å
• c: 14.77 ± 0.004 Å
• α: 90°
• β: 97.658 ± 0.013°
• γ: 90°
• Cell volume: 2338 ± 1.2 ų
• Cell temperature: 298.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No