Information card for entry 7105346

Structure parameters

• Formula: C48 H48 O7
• Calculated formula: C48 H48 O7
• SMILES: Oc1c(c(c(c(c1C(=O)OC)CCc1ccccc1)C(=O)OC)CCc1ccccc1)/C(=C/Cc1ccccc1)/C(=C(CCc1ccccc1)\C)C(=O)OC
• Title of publication: Rhodium-catalyzed aryl- and alkylation-oligomerization of alkynoates with organoboron reagents giving salicylates.
• Authors of publication: Yasuhara, Yuichi; Nishimura, Takahiro; Hayashi, Tamio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 12
• Pages of publication: 2130 - 2132
• a: 20.104 ± 0.005 Å
• b: 9.78 ± 0.002 Å
• c: 20.524 ± 0.004 Å
• α: 90°
• β: 97.459 ± 0.01°
• γ: 90°
• Cell volume: 4001.2 ± 1.5 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• 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: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No