Information card for entry 4027914

Structure parameters

• Formula: C39 H50 O9 Si
• Calculated formula: C39 H50 O9 Si
• SMILES: [Si](OCC[C@]12CC(=C[C@H]3[C@@H]4CCO[C@@]3(OC1=O)C2=C[C@@H]4CCOCOCCOC)C(=O)OC)(c1ccccc1)(c1ccccc1)C(C)(C)C.[Si](OCC[C@@]12CC(=C[C@@H]3[C@H]4CCO[C@]3(OC1=O)C2=C[C@H]4CCOCOCCOC)C(=O)OC)(c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: Synthetic Studies on CP-225,917 and CP-263,114: Access to Advanced Tetracyclic Systems by Intramolecular Conjugate Displacement and [2,3]-Wittig Rearrangement
• Authors of publication: Farzad Malihi; Derrick L. J. Clive; Che-Chien Chang; Minaruzzaman
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 996 - 1013
• a: 7.2074 ± 0.0002 Å
• b: 15.3803 ± 0.0004 Å
• c: 16.4727 ± 0.0005 Å
• α: 78.3311 ± 0.0003°
• β: 83.2943 ± 0.0003°
• γ: 87.9616 ± 0.0003°
• Cell volume: 1775.92 ± 0.09 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: 0.0481
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No