Information card for entry 4107720

Structure parameters

• Formula: C35 H35 Cl O6 S
• Calculated formula: C35 H35 Cl O6 S
• SMILES: ClC(=C(\C(=C(/C(=C(\C=C\S(=O)(=O)c1ccc(cc1)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: 8.462 ± 0.003 Å
• b: 20.401 ± 0.005 Å
• c: 19.553 ± 0.008 Å
• α: 90°
• β: 92.919 ± 0.014°
• γ: 90°
• Cell volume: 3371 ± 2 ų
• Cell temperature: 298.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No