Information card for entry 1505429

Structure parameters

• Formula: C27 H48 O3 Si
• Calculated formula: C27 H48 O3 Si
• SMILES: [C@H]1(CCCCCCCCC[C@]2(C)C=C(OC)C=C1C2=O)O[Si](C(C)C)(C(C)C)C(C)C.[C@@H]1(CCCCCCCCC[C@@]2(C)C=C(OC)C=C1C2=O)O[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Intramolecular cyclohexadienone annulations of Fischer carbene complexes: model studies for the synthesis of Phomactins.
• Authors of publication: Huang, Jie; Wang, Huan; Wu, Chunrui; Wulff, William D.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 15
• Pages of publication: 2799 - 2802
• a: 11.714 ± 0.002 Å
• b: 12.064 ± 0.002 Å
• c: 12.691 ± 0.003 Å
• α: 117.1 ± 0.03°
• β: 112.07 ± 0.03°
• γ: 95.88 ± 0.03°
• Cell volume: 1395.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No