Information card for entry 1503047

Structure parameters

• Formula: C34 H46 Cl O3 P
• Calculated formula: C34 H44 Cl O3 P
• SMILES: C(CCC)[P+](CCCC)(CCCC)C(c1ccccc1)C(C(=O)c1ccccc1)C(=O)c1ccccc1.O.[Cl-]
• Title of publication: Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.
• Authors of publication: Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 13
• Pages of publication: 3066 - 3069
• a: 23.91 ± 0.0007 Å
• b: 10.4217 ± 0.0003 Å
• c: 28.342 ± 0.0008 Å
• α: 90°
• β: 108.506 ± 0.002°
• γ: 90°
• Cell volume: 6697.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1163
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No