Information card for entry 7152593

Structure parameters

• Formula: C23 H35 O3 Si
• Calculated formula: C23 H35 O3 Si
• SMILES: [Si](O[C@H]1[C@]2([C@H]3C(=CC(=O)C3)COC2)CCC(=C1)C)(C(C)(C)C)(C)C.[Si](O[C@@H]1[C@@]2([C@@H]3C(=CC(=O)C3)COC2)CCC(=C1)C)(C(C)(C)C)(C)C.c1ccccc1
• Title of publication: Diverted organic synthesis (DOS): accessing a new, natural product inspired, neurotrophically active scaffold through an intramolecular Pauson-Khand reaction.
• Authors of publication: Mehta, Goverdhan; Samineni, Ramesh; Srihari, Pabbaraja; Reddy, R. Gajendra; Chakravarty, Sumana
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 34
• Pages of publication: 6830 - 6833
• a: 7.5526 ± 0.0011 Å
• b: 8.7285 ± 0.0013 Å
• c: 17.68 ± 0.003 Å
• α: 85.539 ± 0.003°
• β: 82.149 ± 0.003°
• γ: 87.533 ± 0.003°
• Cell volume: 1150.5 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.19
• Residual factor for significantly intense reflections: 0.1084
• Weighted residual factors for significantly intense reflections: 0.2088
• Weighted residual factors for all reflections included in the refinement: 0.243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No